SCHEMBL9539370

SCHEMBL9539370

CCCCCCCCC(C)NC(=O)OC(C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
NPY5R Q15761 1/20 0.40
CTSK P43235 1/20 0.40
CTRC Q99895 1/20 0.39
REN P00797 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
LPAR1 Q92633 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
SCHEMBL9539374 0.82 TACR3 (0.45) ENPP2NPY5RCTRCRENMMP2
SCHEMBL9539141 0.79 ITGB3 (0.46) ENPP2NPY5RLPAR1
SCHEMBL9539144 0.79 ENPP2 (0.45) ENPP2NPY5RRENLPAR1
SCHEMBL7670973 0.75 NPY5R (0.46) NPY5R
SCHEMBL9539148 0.72 BLM (0.37) NPY5R
SCHEMBL3119335 0.69 PTPN1 (0.49) CTSKRENMMP2MMP3
SCHEMBL30047061 0.68 SIRT2 (0.58) CTSK
SCHEMBL29179927 0.68 SIRT2 (0.58) CTSK
SCHEMBL14396102 0.68 SIRT2 (0.58) CTSK
SCHEMBL29144124 0.67 CTSL (0.58) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed