SCHEMBL8658382

SCHEMBL8658382

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
STS P08842 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TGFBR1 P36897 1/20 0.37
POLB P06746 2/20 0.37
RORC P51449 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7446367 0.93 ITGB3 (0.48) ITGB3ITGA2BABL1RIN1PKM
SCHEMBL7442555 0.92 ABL1 (0.40) ITGB3ITGA2BABL1RIN1PKM
SCHEMBL8658378 0.87 KDM4E (0.41) ITGB3ITGA2BABL1RIN1PKM
SCHEMBL7459293 0.86 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7445388 0.85 ITGB3 (0.45) ITGB3ITGA2BABL1RIN1KMT2A
SCHEMBL7444185 0.85 KDM4E (0.47) ITGB3ITGA2BABL1RIN1PKM
SCHEMBL7442552 0.84 KMT2A (0.40) ABL1RIN1PKMKMT2AMAPT
SCHEMBL7451021 0.82 ITGB3 (0.49) ITGB3ITGA2BKMT2AMAPTMEN1
SCHEMBL7447910 0.82 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7442559 0.81 KMT2A (0.41) ABL1RIN1PKMKMT2AMAPT

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