SCHEMBL539016

SCHEMBL539016

CCCCc1ccc2[nH]nnc2c1-c1cc(CCC(=O)OCCCCCC(C)C)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.35
CNR2 P34972 4/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C8 P10632 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2B6 P20813 3/20 0.34
CYP2C19 P33261 3/20 0.34
HTR1A P08908 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2A6 P11509 2/20 0.34
CYP1A2 P05177 2/20 0.34
LTA4H P09960 2/20 0.34
CYP2E1 P05181 1/20 0.34
LTB4R Q15722 2/20 0.34
RXRA P19793 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RY10 O00398 2/20 0.32
PDE1A P54750 1/20 0.32

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
SCHEMBL6236497 0.87 APP (0.36) APPCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2488006 0.83 APP (0.39) APPCYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL6999046 0.81 APP (0.37) APPCYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL28489734 0.79 KAT8 (0.41) CNR2CYP3A4HTR1AALDH1A1TDP1
SCHEMBL30211339 0.78 RARB (0.34) CYP3A4CYP2C9CYP2C19HTR1ACYP1A2
SCHEMBL673310 0.78 RARB (0.34) CYP3A4CYP2C9CYP2C19HTR1ACYP1A2
SCHEMBL29565131 0.76 EPHX2 (0.35) CNR2ALDH1A1TDP1P2RY10
SCHEMBL3746000 0.75 PDE1A (0.36) APPCNR2ALDH1A1TDP1P2RY10
SCHEMBL29565142 0.73 ALDH1A1 (0.38) CNR2ALDH1A1TDP1P2RY10
SCHEMBL5084394 0.73 PDE1A (0.34) ALDH1A1PDE1APDE1BPDE1C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414894-A1 UV-DOSE INDICATOR FILMS BASF SE (DE) 2012-02-08 EP disclosed
WO-2010112408-A1 UV-DOSE INDICATOR FILMS BASF SE (DE) 2010-10-07 WO disclosed
EP-1627011-A2 HIGHLY COMPATIBLE AND NON-MIGRATORY POLYMERIC UV-ABSORBER Ciba SC Holding AG (CH) 2006-02-22 EP disclosed
WO-2004104081-A2 HIGHLY COMPATIBLE AND NON-MIGRATORY POLYMERIC UV-ABSORBER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-02 WO disclosed