SCHEMBL7689035

SCHEMBL7689035

Cc1cc(C)c2[nH]c(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.49
MMP12 P39900 7/20 0.49
MMP9 P14780 5/20 0.49
MMP1 P03956 4/20 0.49
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
XDH P47989 1/20 0.45
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
STAT1 P42224 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7684371 0.82 RAB9A (0.60) MMP2RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7681707 0.81 ALDH1A1 (0.71) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL7685975 0.79 RAB9A (0.59) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL22939050 0.76 KMT2A (0.62) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL6513604 0.76 MMP2 (0.51) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL3721413 0.75 MMP2 (0.53) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL30741601 0.75 IDO1 (0.61) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL3964905 0.75 IDO1 (0.61) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL6516931 0.75 MMP1 (0.50) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL22939052 0.74 MMP2 (0.55) MMP2MMP12MMP9MMP1RAB9A

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