SCHEMBL7463085

SCHEMBL7463085

COc1ccc(CCC(CC(=O)O)NC(=O)[C@@H]2CCCN(C(=O)/C=C/C3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
STS P08842 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 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
SCHEMBL7450236 0.93 ITGB3 (0.48) ITGB3ITGA2BKMT2ASTSRAB9A
SCHEMBL7443409 0.91 ITGB3 (0.45) ITGB3ITGA2BKMT2ASTSRAB9A
SCHEMBL7445034 0.87 ITGB3 (0.57) ITGB3ITGA2BMEN1KMT2ARAB9A
SCHEMBL7492116 0.86 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7438619 0.86 KMT2A (0.41) ITGB3ITGA2BKMT2ASTSRAB9A
SCHEMBL7463087 0.85 RAB9A (0.44) MEN1KMT2ASTSRAB9AALDH1A1
SCHEMBL7445250 0.85 L3MBTL1 (0.43) ITGB3ITGA2BKMT2ASTSALDH1A1
SCHEMBL7443488 0.85 ITGB3 (0.44) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL7440088 0.84 ITGB3 (0.45) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL7455702 0.83 ITGB3 (0.46) ITGB3ITGA2BKMT2ASTS

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed