SCHEMBL9768067

SCHEMBL9768067

CC(C)NC(C(=O)c1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
GAA P10253 2/20 0.54
DBH P09172 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
PTGS2 P35354 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9768063 0.85 ADRB2 (0.44) KDM4EGAADBHRECQLSMN1; SMN2
SCHEMBL5505755 0.82 TDP1 (0.52) KDM4ERECQLSMN1; SMN2ALDH1A1PTGS2
Phenisonone SCHEMBL2107796 0.78 KDM4E (0.65) KDM4EGAADBHRECQLCA12
Phenisonone SCHEMBL11289981 0.76 KDM4E (0.62) KDM4EGAADBHRECQLCA12
SCHEMBL28459149 0.74 CES2 (0.63) KDM4EGAADBHRECQLALDH1A1
SCHEMBL19764847 0.73 ALDH1A1 (0.55) RECQLSMN1; SMN2ALDH1A1PTGS2MAPK1
SCHEMBL11828228 0.73 ALDH1A1 (0.55) RECQLSMN1; SMN2ALDH1A1PTGS2MAPK1
SCHEMBL15592754 0.73 ALDH1A1 (0.55) RECQLSMN1; SMN2ALDH1A1PTGS2MAPK1
SCHEMBL14952563 0.72 ALDH1A1 (0.54) KDM4ERECQLSMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL11283638 0.72 KDM4E (0.56) KDM4EGAADBHRECQLCA12

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed