SCHEMBL7484390

SCHEMBL7484390

COC(=O)c1ccc(NC(=O)C(C)C)cc1OC(=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ MTNR1B P49286 2/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL6671177 0.87 HTT (0.58) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL7332137 0.77 KMT2A (0.52) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL12768059 0.74 SLC6A3 (0.63) ALDH1A1KDM4EHTTKMT2AMAPT
SCHEMBL13390691 0.74 SMN1; SMN2 (0.61) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28408420 0.74 KCNB1 (0.60) ALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL7411536 0.74 TDP1 (0.69) ALDH1A1KDM4ETDP1KMT2ASMN1; SMN2
SCHEMBL16300543 0.72 KDM4E (0.47) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL5755555 0.72 GRM4 (0.55) ALDH1A1KDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL26886587 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL26886517 0.71 MTNR1B (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 — — EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 — — US disclosed
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