SCHEMBL7294444

SCHEMBL7294444

CC(C)CCC(C)(C)NCCCOc1ccc(CC(C(=O)O)N(C=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.49
ITGA2B P08514 9/20 0.49
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL9307411 0.90 ITGB3 (0.50) ITGB3ITGA2BKMT2AKDM4EMEN1
SCHEMBL7393691 0.89 ITGB3 (0.60) ITGB3ITGA2BKMT2AKDM4EMEN1
SCHEMBL7386323 0.81 ITGB3 (0.43) ITGB3ITGA2BMAOBPPARGLTA4H
SCHEMBL7391463 0.80 ITGB3 (0.44) ITGB3ITGA2BMAOBPPARG
SCHEMBL7291522 0.80 ITGB3 (0.44) ITGB3ITGA2BMAOBPPARG
SCHEMBL7417689 0.79 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7421813 0.79 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7431233 0.79 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7422118 0.79 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7324330 0.78 ITGB3 (0.43) ITGB3ITGA2BMAOBPPARG

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
EP-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP claimed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP claimed