SCHEMBL9856029

SCHEMBL9856029

O=C(O)c1ccc(CS)cc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.54
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
RARB P10826 2/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
DCLRE1B Q9H816 2/20 0.45
RXRA P19793 3/20 0.44
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
DCLRE1A Q6PJP8 1/20 0.43
IDO1 P14902 1/20 0.41

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
SCHEMBL6604457 0.86 FOLH1 (0.57) FOLH1DCLRE1B
SCHEMBL542783 0.82 PRKAB2 (0.49) EPHX2NR1H4RARBRARARARG
SCHEMBL9428167 0.80 GAA (0.45) EPHX2NR1H4
SCHEMBL506187 0.80 EPHX2 (0.47) EPHX2NR1H4RARBRARARARG
SCHEMBL17049075 0.80 EPHX2 (0.47) EPHX2NR1H4RARBRARARARG
SCHEMBL31490890 0.80 SRD5A2 (0.57) EPHX2NR1H4RARBRARARARG
SCHEMBL13746058 0.80 EPHX2 (0.47) EPHX2NR1H4RARBRARARARG
SCHEMBL669282 0.80 RARB (0.54) EPHX2NR1H4RARBRARARARG
SCHEMBL2845325 0.80 EPHX2 (0.47) EPHX2NR1H4RARBRARARARG
SCHEMBL23242520 0.79 RARB (0.45) EPHX2NR1H4RARBRARARARG

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
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP claimed