SCHEMBL7429403

SCHEMBL7429403

Cc1c(NC(=O)C(CSC(=O)C(C)C)Cc2ccccc2)cccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SELP P16109 1/20 0.41
SELE P16581 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7430329 0.89 CYP2C9 (0.51) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7430174 0.87 ALDH1A1 (0.45) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7438795 0.87 ALDH1A1 (0.47) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7432768 0.87 ALDH1A1 (0.52) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7437062 0.87 ALDH1A1 (0.47) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7429657 0.86 ALDH1A1 (0.46) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7433885 0.86 ALDH1A1 (0.46) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL9456519 0.85 ALDH1A1 (0.45) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7432460 0.85 ALDH1A1 (0.43) ALDH1A1CYP2C9NPC1RAB9AKDM4E
SCHEMBL7440614 0.84 ALDH1A1 (0.47) ALDH1A1CYP2C9NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed