SCHEMBL3084203

SCHEMBL3084203

O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)OC(=O)c5c(Cl)c(Cl)c6c7ccc(C(=O)O)c8c(C(=O)O)ccc(c9ccc(C(=O)O)c5c96)c87)c(Cl)c(Cl)c(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL3090897 0.90 CYP1A2 (0.40) CYP1A2TSHRCASP1SMN1; SMN2CSNK2A2
SCHEMBL21433600 0.82 CYP1A2 (0.46) CYP1A2TSHRCASP1SMN1; SMN2
SCHEMBL2427468 0.80 CYP1A2 (0.48) CYP1A2TSHRCASP1SMN1; SMN2CSNK2A2
SCHEMBL2434013 0.77 CYP1A2 (0.58) CYP1A2TSHRCASP1SMN1; SMN2PARP1
SCHEMBL30141 0.73 CYP1A2 (0.78) CYP1A2TSHRCASP1SMN1; SMN2PARP1
SCHEMBL30117300 0.73 CYP1A2 (0.78) CYP1A2TSHRCASP1SMN1; SMN2PARP1
SCHEMBL10934546 0.72 CYP1A2 (0.40) CYP1A2TSHRCASP1SMN1; SMN2CSNK2A2
SCHEMBL3077536 0.72 CYP1A2 (0.42) CYP1A2TSHRPARP1
SCHEMBL1973366 0.71 CYP1A2 (0.39) CYP1A2TSHRCASP1SMN1; SMN2CSNK2A2
SCHEMBL27705418 0.71 CYP1A2 (0.50) CYP1A2TSHRCASP1SMN1; 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