SCHEMBL7450244

SCHEMBL7450244

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)NC[C@@H](CCc3ccccc3)C(=O)O)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
RAB9A P51151 2/20 0.43
STS P08842 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
USP30 Q70CQ3 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MAPK8 P45983 1/20 0.39

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
SCHEMBL7445255 0.93 GPR119 (0.44) KMT2AGPR119RAB9ASTSNPC1
SCHEMBL7463087 0.93 RAB9A (0.44) KMT2ARAB9ASTSNPC1ALDH1A1
SCHEMBL7455696 0.90 KMT2A (0.43) KMT2AGPR119RAB9ASTSNPC1
SCHEMBL7443415 0.89 KMT2A (0.43) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL7440080 0.87 KMT2A (0.42) KMT2AALDH1A1HPGDKDM4EPKM
SCHEMBL7447915 0.87 ITGB3 (0.44) KMT2AGPR119RAB9ASTSNPC1
SCHEMBL7443492 0.86 KMT2A (0.41) KMT2AALDH1A1HPGDKDM4EPKM
SCHEMBL7446600 0.85 STS (0.42) KMT2AGPR119RAB9ASTSNPC1
SCHEMBL7501795 0.85 ITGB3 (0.54) KMT2AGPR119RAB9ASTSNPC1
SCHEMBL7450055 0.85 ITGB3 (0.42) KMT2AGPR119RAB9ASTSNPC1

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