SCHEMBL9147247

SCHEMBL9147247

Cc1cccc(OC(=O)Nc2ccc(O)c(C(=O)O)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
MAPT P10636 3/20 0.76
KDM4E B2RXH2 3/20 0.76
HSD17B10 Q99714 4/20 0.62
POLB P06746 2/20 0.62
CYP2D6 P10635 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
ATM Q13315 1/20 0.62
MAPK1 P28482 3/20 0.60
FAAH O00519 1/20 0.60
CYP3A4 P08684 1/20 0.60
KDM4C Q9H3R0 2/20 0.50
GFER P55789 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CSNK2A1 P68400 1/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48

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
SCHEMBL9147803 0.90 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL9149452 0.88 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL8601506 0.86 MAPT (1.00) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL8605462 0.85 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL9151318 0.85 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL9150431 0.85 MAPT (0.76) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL9149559 0.84 KDM4E (0.70) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL9150050 0.82 ALDH1A1 (0.89) ALDH1A1MAPTKDM4EHSD17B10POLB
SCHEMBL14543272 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL9150814 0.81 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EHSD17B10POLB

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