SCHEMBL15077489

SCHEMBL15077489

CCCCCCCCCCCCCCCCCCCCc1c(C)cc(N2C(=O)c3ccc4c5c(Br)cc6c7c(ccc(c8c(Br)cc(c3c48)C2=O)c75)C(=O)N(c2cc(C)c(CCCCCCCCCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)C6=O)cc1OCCCCCCCCCCCC

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ LTB4R Q15722 2/20 0.31
▸ SMPD1 P17405 4/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL14827380 0.90 MAPT (0.35) PPARGPPARDPPARASMPD1MAPT
SCHEMBL14827382 0.90 MAPT (0.35) PPARGPPARDPPARASMPD1MAPT
SCHEMBL14706337 0.87 THRA (0.35) PPARGPPARDPPARASMPD1MAPT
SCHEMBL15078808 0.83 ALOX5 (0.36) S1PR5SMPD1
SCHEMBL14827384 0.82 GRM5 (0.42) SMPD1THRATHRB
SCHEMBL470774 0.81 FAAH (0.38) NR1H2NR1H3KDM4EALDH1A1TDP1
SCHEMBL15077495 0.79 MAPT (0.36) NR1H2NR1H3MAPTTHRATHRB
SCHEMBL17514402 0.79 MGLL (0.49) NR1H2NR1H3TP53KDM4EALDH1A1
SCHEMBL17514387 0.79 MGLL (0.49) NR1H2NR1H3TP53KDM4EALDH1A1
SCHEMBL15077485 0.78 ALOX5 (0.35) S1PR5SMPD1

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-20130165616-A1 PERYLENETETRACARBOXYLIC DIIMIDE ORGANIC SEMICONDUCTOR MATERIAL AND THE PREPARATION METHOD AND APPLICATION THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-27 — — US disclosed
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