SCHEMBL9716704

SCHEMBL9716704

CC(C)C(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
AGTR1 P30556 3/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
KEAP1 Q14145 1/20 0.40
PARP1 P09874 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CLCN2 P51788 1/20 0.40
CDC25A P30304 1/20 0.40

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
SCHEMBL11800788 0.87 KDM4E (0.46) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL11819594 0.87 KDM4E (0.46) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL8074247 0.82 LARS1 (0.44) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL12798712 0.82 L3MBTL1 (0.56) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL6303080 0.81 AGTR1 (0.44) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL690246 0.81 KDM4E (0.53) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL5967407 0.81 KDM4E (0.50) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL341645 0.80 KDM4E (0.71) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL29620333 0.80 KDM4E (0.71) KDM4EAGTR1RAB9AALDH1A1HSD17B10
SCHEMBL11804263 0.80 AGTR1 (0.47) KDM4EAGTR1RAB9AALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed