SCHEMBL15038441

SCHEMBL15038441

CCc1ccc(/C(=C/c2ccc(N(c3ccc(C)cc3)c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR2 O43614 1/20 0.39
AKR1C3 P42330 1/20 0.39
ATM Q13315 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL15038792 1.00 PTGS2 (0.49) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL12551631 0.93 PTGS2 (0.51) PTGS2ESR1ALDH1A1MAPTHPGD
SCHEMBL13508376 0.90 PTGS2 (0.57) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL443217 0.90 PTGS2 (0.57) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL139360 0.90 PTGS2 (0.57) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL14950688 0.89 PTGS2 (0.48) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL12572204 0.89 PTGS2 (0.48) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL13681240 0.87 PTGS2 (0.39) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL9098089 0.87 PTGS2 (0.46) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL14063406 0.86 PTGS2 (0.41) PTGS2ALDH1A1MAPTKDM4EHPGD

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-20130157181-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2013-06-20 US disclosed