SCHEMBL7450236

SCHEMBL7450236

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)NC(CCc3ccccc3)CC(=O)O)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
STS P08842 1/20 0.43
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7463085 0.93 ITGB3 (0.44) ITGB3ITGA2BSTSMMP1MMP9
SCHEMBL7445250 0.92 L3MBTL1 (0.43) ITGB3ITGA2BSTSMMP1MMP3
SCHEMBL7455702 0.90 ITGB3 (0.46) ITGB3ITGA2BSTSGPR119MAPK1
SCHEMBL7443409 0.90 ITGB3 (0.45) ITGB3ITGA2BSTSALDH1A1NPC1
SCHEMBL7440088 0.87 ITGB3 (0.45) ITGB3ITGA2BALDH1A1HPGDMAPT
SCHEMBL7447910 0.87 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7443488 0.86 ITGB3 (0.44) ITGB3ITGA2BALDH1A1HPGDMAPT
SCHEMBL7446367 0.85 ITGB3 (0.48) ITGB3ITGA2BSTSMAPK1KDM4E
SCHEMBL7501790 0.85 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7450244 0.85 KMT2A (0.45) ITGB3ITGA2BSTSMMP1MMP3

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed