SCHEMBL13875415

SCHEMBL13875415

C=C(C)C(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 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
SCHEMBL13875419 0.87 MAPT (0.39) MAPTPOLBSMN1; SMN2TSHRCYP1A2
SCHEMBL13875436 0.85 MAPT (0.49) MAPTPOLBSMN1; SMN2CYP1A2CYP3A4
SCHEMBL13875414 0.84 TSHR (0.44) MAPTPOLBSMN1; SMN2TSHRCYP1A2
SCHEMBL14845472 0.83 POLB (0.33) POLB
SCHEMBL13875394 0.82 MAPT (0.42) MAPTPOLBSMN1; SMN2MAPK1KMT2A
SCHEMBL14845444 0.81 THRB (0.35) MAPTPOLBSMN1; SMN2
SCHEMBL14845473 0.80 THRB (0.34) MAPTPOLB
SCHEMBL13875425 0.80 RAB9A (0.37) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL13875443 0.80 POLB (0.34) MAPTPOLBALDH1A1LMNA
SCHEMBL13875434 0.77 CES2 (0.46) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19

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
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed