SCHEMBL13875418

SCHEMBL13875418

COc1ccc(C(=O)C(=O)OCCOCCOCCOC(=O)C(=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
CES2 O00748 1/20 0.48

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
SCHEMBL6025283 1.00 TSHR (0.54) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL2124837 0.84 MAPK1 (0.58) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL6025361 0.82 MAPT (0.51) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL13875414 0.81 TSHR (0.44) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL13890438 0.80 TSHR (0.66) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL13875413 0.79 CA12 (0.48) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL3758910 0.79 TSHR (0.76) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL29618985 0.79 TSHR (0.76) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL11245864 0.78 MAPT (0.73) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL14845454 0.78 TSHR (0.63) TSHRCYP2C19CYP1A2CYP3A4CYP2C9

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-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed