SCHEMBL1343587

SCHEMBL1343587

CCN(c1cc(C)c(Nc2ccc(Cl)cc2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
EZH2 Q15910 7/20 0.32
HRH1 P35367 2/20 0.32
S1PR1 P21453 1/20 0.32
HTR2A P28223 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
BRCA1 P38398 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9847210 0.88 IDO1 (0.33) IDO1ALDH1A1CYP2C9HPGDALOX15
SCHEMBL9320556 0.86 IDO1 (0.32) IDO1ALDH1A1CYP2C9HPGDALOX15
SCHEMBL7774002 0.86 ALDH1A1 (0.34) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL1884733 0.83 ALDH1A1 (0.35) IDO1LMNAALDH1A1CYP2C9HPGD
SCHEMBL6535277 0.79 ALDH1A1 (0.38) LMNAALDH1A1CYP2C9HPGDALOX15
SCHEMBL10885589 0.76 HPGD (0.40) LMNAALDH1A1CYP2C9HPGDALOX15
SCHEMBL6438083 0.75 HPGD (0.39) LMNAALDH1A1CYP2C9HPGDALOX15
SCHEMBL15056135 0.75 HPGD (0.37) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9845551 0.75 CHRM2 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL11039571 0.75 HSD17B10 (0.35) TP53LMNAALDH1A1CYP2C9HPGD

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-8062993-B2 Developer mixture for thermal recording materials and thermal recording materials API CORPORATION (JP) 2011-11-22 US disclosed