Anisole

Anisole

SCHEMBL27762741

CCNC(=O)C(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12.COc1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAPK1 P53355 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ HPGD P15428 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ OGG1 O15527 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ P2RX3 P56373 1/20 0.38

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
SCHEMBL1306720 0.90 MAPT (0.53) DAPK1PIM3HPGDALDH1A1KDM4E
SCHEMBL1306717 0.90 MAPT (0.53) DAPK1PIM3HPGDALDH1A1KDM4E
Fluorobenzene SCHEMBL27762740 0.90 DAPK1 (0.44) DAPK1PIM3HPGDALDH1A1KDM4E
SCHEMBL1306788 0.87 PTPN1 (0.48) HPGDALDH1A1KDM4EMAPTKMT2A
SCHEMBL1306787 0.87 PTPN1 (0.48) HPGDALDH1A1KDM4EMAPTKMT2A
SCHEMBL1307248 0.85 LMNA (0.52) DAPK1PIM3HPGDALDH1A1KDM4E
SCHEMBL1307250 0.85 LMNA (0.52) DAPK1PIM3HPGDALDH1A1KDM4E
SCHEMBL1307060 0.81 HDAC1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1307057 0.81 HDAC1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL27762736 0.81 TSHR (0.43) DAPK1PIM3HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN disclosed
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