SCHEMBL4595264

SCHEMBL4595264

CCCC(c1cc(CC)ccc1O)c1cc(CC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.53
ALOX15 P16050 5/20 0.42
TP53 P04637 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALOX12 P18054 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ESR1 P03372 3/20 0.36

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
SCHEMBL4595834 0.87 CNR1 (0.56) TRPA1ALOX15TP53CYP2D6CYP2C9
SCHEMBL4595798 0.85 TRPA1 (0.53) TRPA1ALOX15TP53CYP2D6CYP2C9
SCHEMBL1244546 0.82 TRPA1 (0.50) TRPA1ALOX15TP53CYP2D6CYP2C9
SCHEMBL4596473 0.81 ALOX15 (0.49) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL51005 0.79 CHRM1 (0.51) TRPA1ALOX15TP53CYP2D6CYP2C9
SCHEMBL11807384 0.79 LMNA (0.46) TRPA1TP53CYP2D6CYP2C9CYP2C19
SCHEMBL6054819 0.79 TRPA1 (0.50) TRPA1ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL5166554 0.79 TRPA1 (0.59) TRPA1ALOX15TP53CYP2D6CYP2C9
SCHEMBL5520591 0.79 TRPA1 (0.59) TRPA1ALOX15TP53CYP2D6CYP2C9
SCHEMBL51701 0.79 TRPA1 (0.59) TRPA1ALOX15TP53CYP2D6CYP2C9

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