SCHEMBL3137392

SCHEMBL3137392

CCCCCCOc1c(CC)ccc(-c2ncnc(-c3ccccc3OC)n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CTSG P08311 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
ADORA3 P0DMS8 2/20 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
SCHEMBL16650037 0.95 ELANE (0.45) ELANECNR1CNR2CTSGMEN1
SCHEMBL627672 0.87 CYP1A2 (0.39) ELANECNR1CNR2MEN1KMT2A
SCHEMBL2709504 0.87 CYP1A2 (0.41) MAPTALDH1A1KDM4EATMNPSR1
SCHEMBL17436829 0.83 RARB (0.39) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL404718 0.81 PPARA (0.41) MAPTKDM4EUSP2ATMNPSR1
SCHEMBL1722952 0.78 PAX8 (0.35) ELANECNR1CNR2MEN1MAPT
SCHEMBL17294439 0.74 THRA (0.35) TLR8
SCHEMBL3137386 0.73 MAPT (0.40) ELANECNR1CNR2MEN1MAPT
SCHEMBL29532574 0.72 SMPD1 (0.43) ALDH1A1ALOX5
SCHEMBL30497724 0.71 CYP1A2 (0.57) KDM4ECYP1A2CYP2C19TLR8

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
EP-2193784-A1 Cosmetic compositions containing an ester derivative of 2-pyrrolidinone 4-carboxy and a lipophilic triazine filter, with use of said derivative as a solvent of a lipophilic triazine filter L'OREAL (FR) 2010-06-09 EP disclosed