SCHEMBL7444188

SCHEMBL7444188

CCOC(=O)[C@@](C)(NC(=O)c1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
STS P08842 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 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
SCHEMBL7442559 0.92 KMT2A (0.41) KDM4EPKMKMT2AALDH1A1MAPT
SCHEMBL7441380 0.88 ALDH1A1 (0.39) KDM4EKMT2AALDH1A1MAPTABL1
SCHEMBL7498844 0.85 KDM4E (0.50) KDM4EPKMKMT2AALDH1A1USP30
SCHEMBL7446666 0.85 ALDH1A1 (0.37) KDM4EKMT2AALDH1A1MAPTSTS
SCHEMBL7444185 0.84 KDM4E (0.47) KDM4EPKMKMT2AALDH1A1USP30
SCHEMBL7444180 0.84 KDM4E (0.47) KDM4EPKMKMT2AUSP30CHRM2
SCHEMBL7446367 0.81 ITGB3 (0.48) KDM4EPKMKMT2AUSP30STS
SCHEMBL7449634 0.80 ALDH1A1 (0.40) KDM4EKMT2AALDH1A1MAPTABL1
SCHEMBL7446356 0.80 KDM4E (0.49) KDM4EPKMKMT2AUSP30STS
SCHEMBL7506881 0.79 NPC1 (0.47) KDM4EALDH1A1USP30CHRM5HTT

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