SCHEMBL7446367

SCHEMBL7446367

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)N[C@H](CC(=O)O)NC(=O)c3ccccc3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
USP30 Q70CQ3 1/20 0.41
STS P08842 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KMT2A Q03164 3/20 0.40
F2R P25116 2/20 0.39
MAPK1 P28482 1/20 0.38
CCR8 P51685 1/20 0.38
MEN1 O00255 2/20 0.38
ACKR3 P25106 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
SCHEMBL8658382 0.93 ITGB3 (0.44) ITGB3ITGA2BKDM4EPKMSTS
SCHEMBL7444185 0.92 KDM4E (0.47) ITGB3ITGA2BKDM4EPKMUSP30
SCHEMBL7445388 0.88 ITGB3 (0.45) ITGB3ITGA2BABL1RIN1KMT2A
SCHEMBL7447910 0.87 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7446356 0.86 KDM4E (0.49) ITGB3ITGA2BKDM4EPKMUSP30
SCHEMBL7450236 0.85 ITGB3 (0.48) ITGB3ITGA2BKDM4EPKMUSP30
SCHEMBL7818399 0.85 ITGB3 (0.55) ITGB3ITGA2BKDM4EPKMF2R
SCHEMBL7447064 0.84 ITGB3 (0.65) ITGB3ITGA2BF2R
SCHEMBL7451021 0.84 ITGB3 (0.49) ITGB3ITGA2BKMT2AF2RMEN1
SCHEMBL7444180 0.84 KDM4E (0.47) ITGB3ITGA2BKDM4EPKMUSP30

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