SCHEMBL13615365

SCHEMBL13615365

CCCCCCOc1cc(/C=C/c2ccc(C)cc2)c(O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.45
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
SMPD1 P17405 1/20 0.41
APP P05067 5/20 0.40
ALOX5 P09917 1/20 0.40
THRB P10828 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRA P10827 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
SCHEMBL862818 0.88 THRB (0.40) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL19342863 0.88 THRB (0.40) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL14539303 0.85 THRB (0.39) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL13410112 0.85 ALDH1A1 (0.44) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL13607213 0.85 CYP1A1 (0.43) SMPD1APPMAPT
SCHEMBL862607 0.84 AHR (0.42) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL13410111 0.84 MAPT (0.45) PTGS1PTGS2APPALOX5THRB
SCHEMBL10153473 0.82 THRB (0.41) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL5113975 0.79 APP (0.56) ESR1PTGS1PTGS2SMPD1APP
SCHEMBL5113980 0.79 APP (0.56) ESR1PTGS1PTGS2SMPD1APP

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-7615289-B2 Organic electroluminescent polymer having 9,9-di(fluorenyl)-2,7-fluorenyl unit and organic electroluminescent device manufactured using the same SK ENERGY CO., LTD. (KR) 2009-11-10 US disclosed