SCHEMBL7688090

SCHEMBL7688090

CCOC(=O)c1[nH]c2ccc(C)cc2c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.74
KDM4E B2RXH2 8/20 0.74
RAB9A P51151 4/20 0.74
MAPT P10636 4/20 0.74
NPC1 O15118 3/20 0.74
GAA P10253 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
TP53 P04637 1/20 0.74
HPGD P15428 9/20 0.72
TSHR P16473 1/20 0.62
KMT2A Q03164 4/20 0.60
HCRTR1 O43613 1/20 0.57
HSD17B10 Q99714 5/20 0.56
HTT P42858 3/20 0.56
MEN1 O00255 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
XBP1 P17861 1/20 0.51
LMNA P02545 3/20 0.50

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
SCHEMBL6643173 0.90 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL6983821 0.87 HCRTR1 (0.76) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL3985463 0.87 KDM4E (0.71) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL16732481 0.87 KDM4E (0.71) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL830378 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL4077176 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL3283431 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL829961 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL16943501 0.85 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL3011731 0.85 ALDH1A1 (0.69) ALDH1A1KDM4ERAB9AMAPTNPC1

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