SCHEMBL8562175

SCHEMBL8562175

O=C1CC(C(=O)Cl)c2cc(O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.41
ESR2 Q92731 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
YES1 P07947 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
MAOA P21397 4/20 0.40
MAOB P27338 4/20 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
SCHEMBL8564363 0.78 LMNA (0.54) CYP19A1MAOBCYP3A4ALDH1A1GAA
SCHEMBL8562417 0.77 GLS (0.46) CYP19A1MAOBOPRK1ARCYP3A4
SCHEMBL8561999 0.76 CHRNB2 (0.32) OPRK1TTRALDH1A1KDM4E
SCHEMBL11631602 0.74 CYP19A1 (0.44) CYP19A1ESR2TUBB4ATUBBYES1
SCHEMBL8562108 0.73 AR (0.42) OPRK1ARALDH1A1KDM4ENPC1
SCHEMBL8561344 0.72 ACHE (0.39) MAOAMAOBALDH1A1KMT2AKDM4E
SCHEMBL27864837 0.70 OPRK1 (0.46) OPRK1ARALDH1A1TP53
SCHEMBL8900017 0.68 NPC1 (0.46) KMT2ANPC1RAB9A
SCHEMBL5156270 0.67 MAOB (0.43) MAOBOPRK1ALDH1A1
SCHEMBL27953567 0.67 MAOB (0.43) CYP19A1MAOBALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
CN-1036004-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-10-01 CN disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
CN-1034731-C Process for preparing analgesic carboxylic acid amide derivatives SANKYO CO (JP) 1997-04-30 CN disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed