SCHEMBL13875413

SCHEMBL13875413

C=COCCCCOC(=O)C(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14845448 0.85 TSHR (0.49) CA12CA1CA2CA4CA6
SCHEMBL13875440 0.83 CES2 (0.49) CA1CA2TSHRCYP1A2CYP3A4
SCHEMBL6025283 0.79 TSHR (0.54) CA12CA1CA2CA4CA6
SCHEMBL13875418 0.79 TSHR (0.54) CA12CA1CA2CA4CA6
SCHEMBL14845462 0.78 HTT (0.33) POLB
SCHEMBL13875388 0.76 TDP1 (0.50) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL13875430 0.76 RAB9A (0.43) TSHRCYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL2124837 0.76 MAPK1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL14845440 0.76 HTT (0.35) TSHRCYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL13875419 0.76 MAPT (0.39) CA12CA1CA2CA4CA6

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