SCHEMBL15077485

SCHEMBL15077485

CCCCCCCCCCCCOc1c(CO)cc(N2C(=O)c3ccc4c5c(Br)cc6c7c(ccc(c8c(Br)cc(c3c48)C2=O)c75)C(=O)N(c2cc(CO)c(OCCCCCCCCCCCC)c(OC)c2)C6=O)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ S1PR2 O95136 6/20 0.35
▸ S1PR1 P21453 6/20 0.35
▸ S1PR3 Q99500 5/20 0.35
▸ LPAR2 Q9HBW0 5/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SMPD1 P17405 3/20 0.34

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
SCHEMBL15078808 0.92 ALOX5 (0.36) ALOX5S1PR2S1PR1S1PR3LPAR2
SCHEMBL14827378 0.88 KMT2A (0.36) —
SCHEMBL14706337 0.86 THRA (0.35) CNR2SMPD1
SCHEMBL14827382 0.83 MAPT (0.35) CNR2SMPD1
SCHEMBL14827380 0.83 MAPT (0.35) CNR2SMPD1
SCHEMBL14828575 0.80 ALDH1A1 (0.40) —
SCHEMBL15077489 0.78 S1PR5 (0.32) S1PR5SMPD1
SCHEMBL17514415 0.78 KMT2A (0.39) —
SCHEMBL14827384 0.78 GRM5 (0.42) SMPD1
SCHEMBL15077495 0.76 MAPT (0.36) CNR2

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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