SCHEMBL9150180

SCHEMBL9150180

O=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.84
▸ MAPT P10636 3/20 0.84
▸ KDM4E B2RXH2 3/20 0.84
▸ HSD17B10 Q99714 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ ATM Q13315 1/20 0.69
▸ ACMSD Q8TDX5 3/20 0.56
▸ MCL1 Q07820 2/20 0.56
▸ DHFR P00374 1/20 0.56
▸ HNF4A P41235 1/20 0.56
▸ PORCN Q9H237 1/20 0.54
▸ EGFR P00533 1/20 0.52
▸ KDM4C Q9H3R0 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HPGD P15428 1/20 0.47

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
SCHEMBL8601506 0.92 MAPT (1.00) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9150050 0.89 ALDH1A1 (0.89) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9148332 0.89 MAPT (0.67) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9153406 0.86 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9150814 0.85 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL8605462 0.85 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9150151 0.85 KDM4E (0.77) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL8652431 0.85 KDM4E (0.77) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL8654938 0.85 MAPT (0.77) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9148444 0.84 MAPT (0.80) ALDH1A1MAPTKDM4EHSD17B10MEN1

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
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