SCHEMBL10669269

SCHEMBL10669269

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HPGD P15428 5/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GRM1 Q13255 2/20 0.49
▸ GRM2 Q14416 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HNF4A P41235 1/20 0.45
▸ ACMSD Q8TDX5 1/20 0.45
▸ TRPA1 O75762 4/20 0.44
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL1129944 0.88 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL21023900 0.78 PPARA (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL21381511 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL10174227 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL1546509 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL8579168 0.76 TRPA1 (0.56) ALDH1A1HSD17B10KMT2AMEN1CYP2C9
SCHEMBL11350485 0.76 TRPA1 (0.56) ALDH1A1HSD17B10KMT2AMEN1CYP2C9
Phenol SCHEMBL30239894 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL5885460 0.75 TRPA1 (0.40) KDM4EHPGDHSD17B10GRM2CYP2C9
SCHEMBL3864354 0.75 TRPA1 (0.61) TDP1TRPA1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4771034-A LEUCO DYE, SALICYCLIC ACID DERIVATIVE AS ELECTRON ACCEPTOR FUJI PHOTO FILM CO., LTD. (JP) 1988-09-13 — — US disclosed
EP-0219302-A2 Recording materials FUJI PHOTO FILM CO., LTD. (JP) 1987-04-22 — — EP disclosed
Send feedback