SCHEMBL13875419

SCHEMBL13875419

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
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
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL13875415 0.87 MAPT (0.41) MAPTPOLBSMN1; SMN2TSHRCYP1A2
SCHEMBL13875437 0.85 CES2 (0.41) MAPTSMN1; SMN2CA1CA2KMT2A
SCHEMBL13875414 0.84 TSHR (0.44) MAPTPOLBSMN1; SMN2TSHRCYP1A2
SCHEMBL14845460 0.81 THRB (0.30)
SCHEMBL14845436 0.81 THRB (0.33) TSHRALDH1A1
SCHEMBL13875386 0.80 THRB (0.43) MAPTPOLBSMN1; SMN2TSHRMAPK1
SCHEMBL13875441 0.80 KDM4E (0.32) MAPTPOLBKDM4EALDH1A1LMNA
SCHEMBL13875424 0.80 RAB9A (0.37) MAPTSMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL14845445 0.79 THRB (0.32)
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