Anisaldehyde

Anisaldehyde

SCHEMBL888255

COc1ccc(C=O)cc1.O=S(=O)(O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

The experimentally established mechanism targets of Anisaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A known ✓ P04350 1/20 0.48
▸ TUBB known ✓ P07437 1/20 0.48
▸ TUBA3C known ✓ P0DPH7 1/20 0.48
▸ TUBA1B known ✓ P68363 1/20 0.48
▸ TUBA4A known ✓ P68366 1/20 0.48
▸ TUBB4B known ✓ P68371 1/20 0.48
▸ TUBB3 known ✓ Q13509 1/20 0.48
▸ TUBB2A known ✓ Q13885 1/20 0.48
▸ TUBB8 known ✓ Q3ZCM7 1/20 0.48
▸ TUBA3E known ✓ Q6PEY2 1/20 0.48
▸ TUBA1A known ✓ Q71U36 1/20 0.48
▸ TUBA1C known ✓ Q9BQE3 1/20 0.48
▸ TUBB6 known ✓ Q9BUF5 1/20 0.48
▸ TUBB2B known ✓ Q9BVA1 1/20 0.48
▸ TUBB1 known ✓ Q9H4B7 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.79
▸ CYP2A6 P11509 1/20 0.79
▸ STS P08842 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.50
▸ CYP1A1 P04798 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Anisaldehyde SCHEMBL15602807 0.98 ALDH1A1 (0.76) ALDH1A1CYP2A6STSKDM4ECYP1A1
Anisaldehyde SCHEMBL28223592 0.94 ALDH1A1 (0.70) ALDH1A1CYP2A6STSKDM4ECYP1A1
Anisaldehyde SCHEMBL6910607 0.93 ALDH1A1 (0.68) ALDH1A1CYP2A6STSKDM4ECYP1A1
Anisaldehyde SCHEMBL1064748 0.93 ALDH1A1 (0.68) ALDH1A1CYP2A6STSKDM4EF3
Anisaldehyde SCHEMBL8666282 0.91 ALDH1A1 (0.66) ALDH1A1CYP2A6STSKDM4EF3
Anisaldehyde SCHEMBL2239445 0.89 ALDH1A1 (0.91) ALDH1A1CYP2A6KDM4ECYP1A1PTGS2
Anisaldehyde SCHEMBL1100 0.89 ALDH1A1 (1.00) ALDH1A1CYP2A6STSKDM4ECYP1A1
Anisaldehyde SCHEMBL717471 0.89 ALDH1A1 (1.00) ALDH1A1CYP2A6STSKDM4ECYP1A1
Anisaldehyde SCHEMBL8674910 0.87 ALDH1A1 (0.86) ALDH1A1CYP2A6KDM4ECYP1A1PTGS2
Anisaldehyde SCHEMBL1477047 0.87 ALDH1A1 (0.95) ALDH1A1CYP2A6KDM4ECYP1A1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720595-A Tobacco sucrose ester extract and preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-03-19 — — CN claimed
CN-117659037-A Method for extracting artemisinin 重庆科瑞南海制药有限责任公司 2024-03-08 — — CN claimed
CN-113567610-B Thin-layer chromatography identification method for Shalian stomach harmonizing capsules 数源汇通(北京)医药科技有限公司 2022-06-28 — — CN claimed
EP-3305308-B1 HONEY FRACTION YAMADA BEE CO INC (JP) 2022-03-09 — — EP claimed
US-5961981-A USEFUL FOR PREPARING PHARMACEUTICAL, COSMETIC AND/OR FOOD COMPOSITIONS FOR ALTERING THE SYNTHESIS OF GLYCOSYLATED ELEMENTS IN THE EXTRACELLULAR MATRIX OF HUMAN AND ANIMAL TISSUES. LABORATOIRE LAPHAL (FR) 1999-10-05 — — US claimed
US-5641485-A WELL-TOLERATED ANTIFUNGALS HOFFMANN-LA ROCHE INC. (US) 1997-06-24 — — US claimed
US-4145415-A ANTITUMOR POLYSACCHARIDES FROM GANODERMA SATO AKIHIKO 1979-03-20 — — US claimed
JP-3005500-A — — None — — JP disclosed
JP-61199797-A — — None — — JP disclosed
JP-5092967-A — — None — — JP disclosed
JP-63218687-A — — None — — JP disclosed
JP-61285992-A — — None — — JP disclosed
JP-59181294-A — — None — — JP disclosed
US-4070458-A MICRBIAL ENZYME SANRAKU-OCEAN CO., LTD. (JA) 1978-01-24 — — US disclosed
US-4055468-A TETRAPEPTIDE SANRAKU-OCEAN CO., LTD. (JA) 1977-10-25 — — US disclosed
US-4031207-A ACTINOPLANES, ANIMAL GROWTH REGULATOR BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 — — US disclosed
US-4031208-A ACTINOPLANES, ANIMAL GROWTH REGULATOR BAYER AKTIENGESELLSCHAFT (DT) 1977-06-21 — — US disclosed
JP-S06265685-A — — 0001-01-01 — — JP disclosed
JP-S06112291-A — — 0001-01-01 — — JP disclosed
JP-S0647687-A — — 0001-01-01 — — JP disclosed
Send feedback