SCHEMBL10768232

SCHEMBL10768232

CC#CC(O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
POLB P06746 3/20 0.44
PKM P14618 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
BLM P54132 1/20 0.44
ESR2 Q92731 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGTR1 P30556 1/20 0.40
HSD17B10 Q99714 3/20 0.38
FFAR1 O14842 1/20 0.38
ALOX5 P09917 2/20 0.37
TP53 P04637 1/20 0.34
CYP2C19 P33261 2/20 0.33
HPGD P15428 3/20 0.33

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
SCHEMBL27038855 0.80 KMT2A (0.41) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL28599273 0.75 AGTR1 (0.45) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL20865651 0.74 CYP2C19 (0.40) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL5582099 0.74
SCHEMBL27536763 0.74
SCHEMBL9669855 0.74
SCHEMBL11702005 0.74
SCHEMBL6971969 0.74
SCHEMBL10765480 0.73 KMT2A (0.34) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL22300272 0.72 KMT2A (0.35) KMT2APOLBPKMPTPN1PTPN7

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
EP-0213313-A2 Precursors and synthesis of methyl-9-oxo-11 alpha, 16-dihydroxy-16-vinyl-5-cis-13-trans prostadienoates AMERICAN CYANAMID COMPANY (US) 1987-03-11 EP disclosed