SCHEMBL4596473

SCHEMBL4596473

CCCC(c1cc(O)ccc1O)c1cc(O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.49
CYP2C9 P11712 2/20 0.49
TP53 P04637 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TYR P14679 6/20 0.41
HTT P42858 2/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MIF P14174 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 2/20 0.38
ALOX5 P09917 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10335356 0.88 TYR (0.48) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL2303433 0.86 TDP1 (0.41) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL4596678 0.84 TYR (0.50) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL7950538 0.82 RORC (0.47) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL51005 0.82 CHRM1 (0.51) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL1246386 0.81 TYR (0.38) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL4595264 0.81 TRPA1 (0.53) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL8824008 0.80 CA12 (0.39) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL4595834 0.79 CNR1 (0.56) ALOX15CYP2C9TP53CYP2D6CYP2C19
SCHEMBL4596232 0.79 ALDH1A1 (0.47) ALOX15CYP2C9TP53CYP2D6CYP2C19

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-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed