SCHEMBL13410190

SCHEMBL13410190

CCCCCCc1cc(-c2ccc(Oc3ccc(-c4cc(CCCCCC)c(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)s5)s4)cc3)cc2)sc1-c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.39
▸ LTA4H P09960 2/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ ICMT O60725 1/20 0.34
▸ LTB4R Q15722 3/20 0.34
▸ HSD17B2 P37059 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PPARA Q07869 1/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ CETP P11597 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL26066513 0.92 APP (0.41) APPLTB4RMAPTPPARA
SCHEMBL14564003 0.86 LTB4R (0.43) APPSTAT3LTB4RMAPTTSHR
SCHEMBL13410123 0.84 APP (0.38) APPLTB4RMAPT
SCHEMBL12180551 0.82 APP (0.52) APPLTB4RMAPTPPARA
SCHEMBL85799 0.81 LTB4R (0.40) LTB4RMAPT
SCHEMBL85806 0.81 LTB4R (0.41) LTB4RMAPTPPARA
SCHEMBL85705 0.81 LTB4R (0.41) LTB4RMAPTPPARA
SCHEMBL13410309 0.81 ICAM1 (0.33) APPLTA4HTSHR
SCHEMBL13410219 0.81 ICAM1 (0.32) APPTSHR
SCHEMBL85697 0.81 LTB4R (0.39) LTB4RMAPT

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-8441002-B2 Organic semiconductor composite, organic transistor material and organic field effect transistor TORAY INDUSTRIES, INC. (JP) 2013-05-14 — — US disclosed
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 — — US disclosed
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