SCHEMBL7438635

SCHEMBL7438635

COC(=O)[C@H](CCCc1ccc(OC)c(OC)c1)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
YAP1 P46937 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
SSTR2 P30874 1/20 0.38
STS P08842 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL7438627 0.87 KMT2A (0.44) KMT2AHTTNPC1RAB9ATSHR
SCHEMBL7438619 0.87 KMT2A (0.41) ITGB3ITGA2BKMT2AHTTNPC1
SCHEMBL7443409 0.87 ITGB3 (0.45) ITGB3ITGA2BKMT2AHTTNPC1
SCHEMBL7498602 0.86 ITGB3 (0.49) ITGB3ITGA2BKMT2AHTTYAP1
SCHEMBL7445261 0.84 L3MBTL1 (0.48) ITGB3ITGA2BKMT2AYAP1NPC1
SCHEMBL7443415 0.83 KMT2A (0.43) KMT2AHTTNPC1RAB9ATSHR
SCHEMBL7446996 0.82 ITGB3 (0.45) ITGB3ITGA2BKMT2AYAP1SSTR2
SCHEMBL7442054 0.82 ITGB3 (0.46) ITGB3ITGA2BKMT2AYAP1ALDH1A1
SCHEMBL7463085 0.78 ITGB3 (0.44) ITGB3ITGA2BKMT2ANPC1RAB9A
SCHEMBL7446606 0.76 STS (0.42) ITGB3ITGA2BKMT2AYAP1NPC1

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