SCHEMBL10001301

SCHEMBL10001301

CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1c(C)cc(O)cc1C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.74
TP53 P04637 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C19 P33261 1/20 0.74
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL29381967 0.86 CYP2C9 (1.00) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL29375990 0.86 CYP2C9 (1.00) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL10891739 0.86 CYP2C9 (0.54) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL39107 0.86 CYP2C9 (1.00) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL7635287 0.84 CYP2C9 (0.97) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL31406588 0.84 CYP2C9 (0.97) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL16281207 0.83 ALOX15 (0.81) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL14432385 0.82 ALOX15 (0.91) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL12626212 0.82 ALOX15 (0.91) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL10709098 0.82 ALOX15 (0.91) ALOX15TP53CYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119185-B2 Protective material comprising reversible and irreversible photochemical functional constituents Philips-Universitaet Marburg (DE) 2012-02-21 US disclosed
US-20090133196-A1 Protective Material Comprising Reversible and Irreversible Photochemical Functional Constituents Philips-Universitaet Marburg (DE) 2009-05-28 US disclosed