SCHEMBL7684555

SCHEMBL7684555

COC(=O)C(C)n1c(C(=O)O)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
DAO P14920 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
CCR2 P41597 4/20 0.44
CNR2 P34972 1/20 0.44
PHGDH O43175 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LDHA P00338 1/20 0.38

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
SCHEMBL6701629 0.86 MCL1 (0.50) MCL1DAOALDH1A1TSHRCCR2
SCHEMBL7682416 0.83 F10 (0.44) ALDH1A1CCR2CNR2POLBKMT2A
SCHEMBL19362902 0.82 KMT2A (0.46) MCL1ALDH1A1TSHRCNR2CYP1A2
SCHEMBL5823619 0.82 MCL1 (0.62) MCL1DAOALDH1A1TSHRCCR2
SCHEMBL5806538 0.79 MCL1 (0.58) MCL1DAOALDH1A1TSHRCCR2
SCHEMBL8690109 0.77 MCL1 (0.55) MCL1DAOALDH1A1TSHRCCR2
SCHEMBL7881984 0.75 ALDH1A1 (0.50) MCL1DAOALDH1A1TSHRCNR2
SCHEMBL20562276 0.73 POLB (0.44) TSHRCNR2POLBKMT2AMEN1
SCHEMBL30912791 0.73 POLB (0.44) TSHRCNR2POLBKMT2AMEN1
SCHEMBL30885684 0.73 POLB (0.44) TSHRCNR2POLBKMT2AMEN1

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