SCHEMBL17997476

SCHEMBL17997476

Cc1ccc(C(=Cc2ccc(-c3ccc(C(=Cc4ccc(Nc5ccc(C)c(C)c5)cc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
FKBP5 Q13451 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL17997452 0.91 PTGS2 (0.57) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL17997442 0.90 PTGS2 (0.56) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL17997456 0.89 PTGS2 (0.39) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL2528716 0.85 PTGS2 (0.59) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL17997465 0.85 RAPGEF4 (0.53) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL17997449 0.84 PTGS2 (0.48) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL2528717 0.84 PTGS2 (0.57) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL7044776 0.84 PTGS2 (0.47) PTGS2NPC1RAB9AKMT2AMAPT
SCHEMBL17997457 0.84 PTGS2 (0.50) PTGS2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17997464 0.83 PTGS2 (0.44) PTGS2NPC1RAB9AKMT2AMAPT

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-20160231658-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2016-08-11 US disclosed