SCHEMBL5710060

SCHEMBL5710060

CCCCCCCCCC(c1c(C)cc(O)cc1C)c1c(C)cc(O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
CYP3A4 P08684 1/20 0.42
GPR84 Q9NQS5 10/20 0.41
ADRB2 P07550 4/20 0.41

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
SCHEMBL5710175 0.80 TP53 (0.37) PTGS2GPR84
SCHEMBL5142259 0.79 TP53 (0.44) PTGS2CYP3A4
SCHEMBL10938970 0.79 TP53 (0.44) PTGS2CYP3A4
SCHEMBL5175941 0.77 CYP3A4 (0.42) CYP3A4
SCHEMBL10945234 0.77 ESR1 (0.42) PTGS2CYP3A4
SCHEMBL225100 0.76 PTGS2 (0.48) PTGS2CYP3A4GPR84
SCHEMBL31545174 0.76 TYR (0.41) PTGS2CYP3A4ADRB2
SCHEMBL20520281 0.76 ESR1 (0.45) GPR84ADRB2
SCHEMBL20520248 0.76 ESR1 (0.45) GPR84ADRB2
SCHEMBL20520221 0.76 ESR1 (0.45) GPR84ADRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6946168-B2 Photochromic phthalein dyes encapsulated in curable oligomers used as coatings on geometric shaped suports as designs THE PILOT INK CO., LTD. (JP) 2005-09-20 US disclosed
US-20040077743-A1 Photochromic phthalein dyes encapsulated in curable oligomers used as coatings on geometric shaped suports as designs THE PILOT INK CO., LTD. 2004-04-22 US disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed