SCHEMBL13040872

SCHEMBL13040872

CC=Cc1cc(OC)c(C=Cc2ccc(N(c3ccc(C)cc3)c3ccc(CCCCCC)cc3)cc2)cc1OCCC(C)CCCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.34
▸ PTGS2 P35354 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CYP24A1 Q07973 1/20 0.31
▸ SMPD1 P17405 1/20 0.31
▸ TRPM2 O94759 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13040866 0.92 HMGCR (0.35) PTGS2MEN1MAPTMAPK1HTT
SCHEMBL14252400 0.91 SIGMAR1 (0.39) SIGMAR1
SCHEMBL13805742 0.90 HMGCR (0.33) PTGS2MEN1MAPTMAPK1HTT
SCHEMBL13805740 0.89 TUBB1 (0.35) CYP24A1MAPTHTT
SCHEMBL13805737 0.89 NFE2L2 (0.34) SIGMAR1MAPTMAPK1HTT
SCHEMBL13431246 0.89 TUBB1 (0.37) PTGS2MEN1MAPTHTTKMT2A
SCHEMBL14252399 0.89 SIGMAR1 (0.38) SIGMAR1
SCHEMBL13805741 0.87 HMGCR (0.32) MAPTHTT
SCHEMBL13805739 0.87 HMGCR (0.40) PTGS2SMPD1TRPM2MAPT
SCHEMBL6364547 0.85 CYP1A1 (0.37) PTGS2

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-20100279460-A1 ORGANIC THIN FILM TRANSISTOR YAMAGA TAKUMI 2010-11-04 — — US disclosed
US-20090206329-A1 ORGANIC THIN FILM TRANSISTOR RICOH COMPANY, LTD. (JP) 2009-08-20 — — US disclosed
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