SCHEMBL9255033

SCHEMBL9255033

COC(=O)/C=C/c1cccc2c1OCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL9255036 1.00 PRKDC (0.42) PRKDCKDM4EALDH1A1MAPTMEN1
SCHEMBL9015376 0.83 KDM4E (0.60) KDM4EMAPTCA1CA2PARP1
SCHEMBL9015375 0.83 KDM4E (0.60) KDM4EMAPTCA1CA2PARP1
SCHEMBL9254892 0.76 PRKDC (0.39) PRKDCKDM4EALDH1A1MAPTMEN1
SCHEMBL9254890 0.76 PRKDC (0.39) PRKDCKDM4EALDH1A1MAPTMEN1
SCHEMBL19973891 0.75 PARP1 (0.47) PRKDCKDM4EALDH1A1MAPTMEN1
SCHEMBL15676499 0.74 MAOB (0.38) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL474093 0.73 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL474092 0.73 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1TP53
SCHEMBL768807 0.71 MAPT (0.55) KDM4EALDH1A1MAPTMEN1HPGD

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-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed