SCHEMBL9150429

SCHEMBL9150429

CCC(=O)Oc1ccc(OC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 3/20 0.71
HSD17B10 Q99714 4/20 0.70
CYP2D6 P10635 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
POLB P06746 2/20 0.70
ATM Q13315 1/20 0.70
KDM4C Q9H3R0 2/20 0.53
HPGD P15428 2/20 0.51
RAB9A P51151 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL9149834 0.87 MAPT (0.71) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8605462 0.85 ALDH1A1 (0.77) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8654938 0.85 MAPT (0.77) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL9153855 0.85 KDM4E (0.68) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL9150570 0.84 MAPT (0.67) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8601506 0.84 MAPT (1.00) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL9153922 0.83 ALDH1A1 (0.73) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8652431 0.83 KDM4E (0.77) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL9150151 0.83 KDM4E (0.77) MAPTKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL3989897 0.82 KDM4E (1.00) MAPTKDM4EALDH1A1HSD17B10CYP2D6

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed