SCHEMBL7455696

SCHEMBL7455696

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)NCC(COCc3ccccc3)C(=O)O)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
STS P08842 1/20 0.42
HTT P42858 1/20 0.41
YAP1 P46937 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPK8 P45983 1/20 0.38
ACKR3 P25106 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
SCHEMBL7450055 0.93 ITGB3 (0.42) KMT2AITGB3ITGA2BGPR119STS
SCHEMBL7450244 0.90 KMT2A (0.45) KMT2AITGB3ITGA2BGPR119STS
SCHEMBL7443492 0.87 KMT2A (0.41) KMT2AITGB3ITGA2BKDM4EPKM
SCHEMBL7441383 0.86 ITGB3 (0.51) KMT2AITGB3ITGA2BGAANPC1
SCHEMBL7444755 0.86 ITGB3 (0.56) KMT2AITGB3ITGA2BGPR119STS
SCHEMBL7445255 0.85 GPR119 (0.44) KMT2AITGB3ITGA2BGPR119STS
SCHEMBL7455702 0.85 ITGB3 (0.46) KMT2AITGB3ITGA2BGPR119STS
SCHEMBL7440080 0.85 KMT2A (0.42) KMT2AITGB3ITGA2BKDM4EPKM
SCHEMBL7447915 0.85 ITGB3 (0.44) KMT2AITGB3ITGA2BGPR119STS
SCHEMBL7463087 0.83 RAB9A (0.44) KMT2ASTSKDM4EGAANPC1

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