SCHEMBL9348181

SCHEMBL9348181

CCOc1ccc(OCC(C)Oc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL9768614 0.91 NQO1 (0.58) NQO1TDP1TSHRNPSR1ALDH1A1
SCHEMBL9343776 0.84 NQO1 (0.50) NQO1TDP1CYP1A2CYP2C19MAOB
SCHEMBL9768704 0.84 LTA4H (0.58) NQO1L3MBTL1KMT2AMEN1LTA4H
SCHEMBL9348566 0.84 NQO1 (0.50) NQO1TDP1CYP1A2CYP2C19MAOB
SCHEMBL9344357 0.84 NQO1 (0.50) NQO1TDP1CYP1A2CYP2C19MAOB
SCHEMBL9768738 0.83 NQO1 (0.48) NQO1TDP1L3MBTL1KMT2AMEN1
SCHEMBL1547683 0.81 NQO1 (0.74) NQO1TDP1CYP1A2CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL322908 0.79 NQO1 (0.70) NQO1TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL14402540 0.78 ALDH1A1 (0.42) ALDH1A1
SCHEMBL14123467 0.78 TSHR (0.42) TDP1CYP1A2CYP2D6CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357409-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 1994-07-20 EP disclosed
US-4994431-A Containing colorless dye precursor, color developer and 1-alkoxy-phenoxy-2-aryloxypropane sensitizer; preservation stability, high sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed
EP-0357409-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-07 EP disclosed