SCHEMBL4573284

SCHEMBL4573284

CCCCCOC(=O)C(=Cc1cc(OC)c(O)c(OC)c1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
ESR1 P03372 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
MET P08581 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40

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
SCHEMBL23407460 0.94 ALOX5 (0.51) ALOX5MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL23407463 0.92 ALOX5 (0.50) ALOX5MAPTCYP3A4CYP2C19ESR1
SCHEMBL23407465 0.92 ALOX5 (0.50) ALOX5MAPTCYP3A4CYP2C19ESR1
SCHEMBL23407468 0.92 ALOX5 (0.50) ALOX5MAPTCYP3A4CYP2C19ESR1
SCHEMBL2905539 0.92 ALOX5 (0.50) ALOX5MAPTCYP3A4CYP2C19ESR1
SCHEMBL5011134 0.91 ALOX5 (0.58) ALOX5MAPTGAATDP1CYP3A4
SCHEMBL23407458 0.90 ALOX5 (0.52) ALOX5MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL28053488 0.89 ALOX5 (0.47) ALOX5MAPTCYP3A4CYP2C19ESR1
SCHEMBL4739625 0.87 MAPT (0.66) MAPTGAATDP1MET
SCHEMBL12211765 0.85 MAPT (0.51) ALOX5MAPTGAATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO disclosed