SCHEMBL7420071

SCHEMBL7420071

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
TPMT P51580 1/20 0.46
XDH P47989 1/20 0.46
ERN1 O75460 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8112678 0.87 MAPT (0.55) MAPTKMT2AMEN1ATMLMNA
SCHEMBL7417960 0.87 CA12 (0.62) LMNANPSR1CA1CA2CA12
SCHEMBL7422657 0.84 CA12 (0.46) MAPTATMLMNACA1CA2
SCHEMBL310021 0.83 ERN1 (0.58) MAPTKMT2AMEN1ATMLMNA
SCHEMBL31084750 0.83 ERN1 (0.58) MAPTKMT2AMEN1ATMLMNA
SCHEMBL2316486 0.82 CA1 (0.61) MAPTKMT2AMEN1ATMLMNA
SCHEMBL13611999 0.80 NOTUM (0.42) MAPTKMT2ALMNACA1CA2
SCHEMBL31614544 0.79 MAPT (0.54) MAPTKMT2AMEN1ATMLMNA
SCHEMBL8890648 0.78 ABCG2 (0.55) MAPTKMT2AMEN1ATMLMNA
SCHEMBL8890644 0.78 ABCG2 (0.55) MAPTKMT2AMEN1ATMLMNA

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
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed