SCHEMBL8658378

SCHEMBL8658378

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)NCC(NC(=O)c3ccc(C(F)(F)F)cc3)C(=O)O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
TACR1 P25103 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.38
RORC P51449 1/20 0.37
MMP13 P45452 1/20 0.37
STS P08842 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 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
SCHEMBL7442552 0.93 KMT2A (0.40) KDM4EPKMGPR119ABL1RIN1
SCHEMBL7446356 0.93 KDM4E (0.49) KDM4EPKMGPR119ABL1RIN1
SCHEMBL8658382 0.87 ITGB3 (0.44) KDM4EPKMGPR119ABL1RIN1
SCHEMBL7459285 0.87 ITGB3 (0.50) ITGB3ITGA2BITGB2ICAM1ITGAL
SCHEMBL7444180 0.86 KDM4E (0.47) KDM4EPKMGPR119KMT2AITGB3
SCHEMBL7445384 0.86 ITGB3 (0.41) KMT2AMAPTITGB3ITGA2B
SCHEMBL7442555 0.83 ABL1 (0.40) KDM4EPKMGPR119ABL1RIN1
SCHEMBL7441546 0.81 KMT2A (0.42) KDM4EPKMGPR119ABL1RIN1
SCHEMBL7451027 0.81 KMT2A (0.43) KDM4EPKMGPR119ABL1RIN1
SCHEMBL7447915 0.81 ITGB3 (0.44) KDM4EPKMGPR119ABL1RIN1

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
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed