SCHEMBL15078808

SCHEMBL15078808

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ S1PR2 O95136 6/20 0.36
▸ S1PR1 P21453 6/20 0.36
▸ S1PR3 Q99500 5/20 0.36
▸ LPAR2 Q9HBW0 5/20 0.36
▸ S1PR4 O95977 2/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ SMPD1 P17405 2/20 0.36

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
SCHEMBL14706337 0.94 THRA (0.35) CNR2SMPD1
SCHEMBL15077485 0.92 ALOX5 (0.35) ALOX5S1PR2S1PR1S1PR3LPAR2
SCHEMBL14827382 0.88 MAPT (0.35) CNR2SMPD1
SCHEMBL14827380 0.88 MAPT (0.35) CNR2SMPD1
SCHEMBL14828575 0.85 ALDH1A1 (0.40) —
SCHEMBL15077489 0.83 S1PR5 (0.32) S1PR5SMPD1
SCHEMBL17514415 0.83 KMT2A (0.39) —
SCHEMBL14827384 0.83 GRM5 (0.42) SMPD1
SCHEMBL17514371 0.81 KMT2A (0.39) —
SCHEMBL12217046 0.80 TP53 (0.37) 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
Send feedback