SCHEMBL7681707

SCHEMBL7681707

Cc1ccc2[nH]c(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 4/20 0.71
HPGD P15428 4/20 0.71
RAB9A P51151 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HSD17B10 Q99714 2/20 0.71
PIN1 Q13526 1/20 0.58
PDGFRB P09619 2/20 0.57
PDGFRA P16234 2/20 0.57
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL6741064 0.87 KDM4E (0.56) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL7685975 0.85 RAB9A (0.59) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6512775 0.85 HRH3 (0.71) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL3964905 0.85 IDO1 (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL30741601 0.85 IDO1 (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL8694126 0.84 ATM (0.59) ALDH1A1KDM4EHPGDHSD17B10PDGFRB
SCHEMBL1564758 0.84 KDM4E (0.54) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6513821 0.84 HRH3 (0.58) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL27574695 0.83 IDO1 (0.60) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL30994860 0.83 RAB9A (1.00) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2

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
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN disclosed