SCHEMBL3090897

SCHEMBL3090897

O=C(O)c1ccc2c3c(Cl)c(Cl)c(C(=O)O)c4c(C(=O)OC(=O)c5c(Cl)c(Cl)c6c7ccc(C(=O)O)c8c(C(=O)O)ccc(c9c(Cl)c(Cl)c(C(=O)O)c5c96)c87)c(Cl)c(Cl)c(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL2427468 0.91 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRTP53CASP1
SCHEMBL3084203 0.90 CYP1A2 (0.41) CYP1A2TSHRCASP1SMN1; SMN2CSNK2A2
SCHEMBL21433600 0.85 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRTP53CASP1
SCHEMBL6740928 0.78 HTT (0.32) ALDH1A1
SCHEMBL10934546 0.77 CYP1A2 (0.40) CYP1A2TSHRCASP1SMN1; SMN2CSNK2A2
SCHEMBL10929141 0.74 CYP1A2 (0.33) CYP1A2
SCHEMBL4659349 0.74 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRTP53CASP1
SCHEMBL1973366 0.73 CYP1A2 (0.39) CYP1A2ALDH1A1TSHRTP53CASP1
SCHEMBL2434013 0.72 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRCASP1SMN1; SMN2
SCHEMBL3090901 0.70 CYP1A2 (0.41) CYP1A2ALDH1A1TSHRCASP1SMN1; SMN2

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-7795433-B2 Methods for preparing perylene/perinone pigments SUN CHEMICAL CORPORATION (US) 2010-09-14 US disclosed
US-20080139813-A1 METHODS FOR PREPARING PERYLENE/PERINONE PIGMENTS SUN CHEMICAL CORPORATION (US) 2008-06-12 US disclosed