SCHEMBL7446356

SCHEMBL7446356

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
USP30 Q70CQ3 2/20 0.44
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
ACKR3 P25106 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.41
YAP1 P46937 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
STS P08842 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL7444180 0.93 KDM4E (0.47) KDM4EPKMUSP30ITGB3ITGA2B
SCHEMBL8658378 0.93 KDM4E (0.41) KDM4EPKMUSP30ITGB3ITGA2B
SCHEMBL7445384 0.88 ITGB3 (0.41) ITGB3ITGA2BKMT2A
SCHEMBL7446367 0.86 ITGB3 (0.48) KDM4EPKMUSP30ITGB3ITGA2B
SCHEMBL7447915 0.86 ITGB3 (0.44) KDM4EPKMUSP30ITGB3ITGA2B
SCHEMBL7442552 0.86 KMT2A (0.40) KDM4EPKMKMT2AGPR119STS
SCHEMBL7818397 0.85 ITGB3 (0.59) KDM4EPKMUSP30ITGB3ITGA2B
SCHEMBL7447055 0.85 ITGB3 (0.55) ITGB3ITGA2BKMT2A
Hydrochloric Acid SCHEMBL7459643 0.84 ITGB3 (0.54) ITGB3ITGA2BKMT2A
SCHEMBL7450244 0.84 KMT2A (0.45) KDM4EPKMUSP30ITGB3ITGA2B

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