SCHEMBL9699654

SCHEMBL9699654

CC(Cc1ccc(OCc2ccccc2)cc1)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
FAAH O00519 3/20 0.50
CNR2 P34972 3/20 0.50
EPHX2 P34913 9/20 0.48
ADAM17 P78536 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL9699652 1.00 ITGB3 (0.52) ITGB3ITGA2BFAAHCNR2EPHX2
SCHEMBL9699648 0.82 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL9699647 0.82 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL3350999 0.80 ITGB3 (0.55) ITGB3ITGA2BKDM4EMEN1MAPT
SCHEMBL11507944 0.74 ITGB3 (0.59) ITGB3ITGA2BMEN1MAPTKMT2A
SCHEMBL2406040 0.72 ITGB3 (0.61) ITGB3ITGA2BMEN1MAPTKMT2A
SCHEMBL28199355 0.71 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL10654800 0.71 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2ANPC1
SCHEMBL27512959 0.71 ENPEP (0.47) ITGB3ITGA2BMAPTPPARGNPC1
SCHEMBL10655573 0.71 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2ANPC1

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-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed