SCHEMBL8313137

SCHEMBL8313137

CCOC(=O)C(C)O.CS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. 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
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
HPGD P15428 3/20 0.37
RECQL P46063 1/20 0.37
METAP2 P50579 2/20 0.36
METAP1 P53582 2/20 0.36
CA14 Q9ULX7 1/20 0.35
CAD P27708 1/20 0.35
MMP8 P22894 1/20 0.35

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
Sulfuric Acid SCHEMBL9420941 0.91 ALDH1A1 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL284806 0.88
SCHEMBL344175 0.88
SCHEMBL471892 0.88 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22598 0.88
SCHEMBL29615225 0.88
SCHEMBL5605429 0.85
Water SCHEMBL3622967 0.85
Hydrochloric Acid SCHEMBL2655388 0.85
Hydrochloric Acid SCHEMBL3333430 0.85

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106366020-A Synthesis method of chiral fenoxanil 京博农化科技股份有限公司 2017-02-01 CN disclosed
CN-1231663-A Arthropodicidal and fungicidal cyclic amides DU PONT (US) 1999-10-13 CN disclosed
EP-0934283-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-08-11 EP disclosed
WO-1998005652-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-12 WO disclosed
EP-0248554-B1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-03 EP disclosed
EP-0248554-A2 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-09 EP disclosed