SCHEMBL10368754

SCHEMBL10368754

COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)CC3CCCCC3)cc21

nearest known ligand 0.98

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.65
NR1H4 Q96RI1 1/20 0.65
CYSLTR2 Q9NS75 6/20 0.62
CYSLTR1 Q9Y271 6/20 0.62
LMNA P02545 1/20 0.47

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
SCHEMBL8998153 0.99 EPHX2 (0.66) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL8998286 0.92 EPHX2 (0.56) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL8901046 0.88 CYSLTR2 (0.64) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9479001 0.86 CYSLTR1 (0.60) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9478778 0.85 CYSLTR2 (0.54) EPHX2NR1H4CYSLTR2CYSLTR1LMNA
SCHEMBL8998132 0.85 CYSLTR2 (0.52) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9478986 0.85 EPHX2 (0.66) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL8951214 0.84 CYSLTR2 (0.62) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL9479016 0.84 CYSLTR2 (0.61) EPHX2NR1H4CYSLTR2CYSLTR1
SCHEMBL10558787 0.84 CYSLTR2 (0.50) EPHX2NR1H4CYSLTR2CYSLTR1

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
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP claimed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP claimed