SCHEMBL11110116

SCHEMBL11110116

CCCc1cc(CCC)c2oc(C(=O)O)cc(=O)c2c1OCC(C)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
GPR35 Q9HC97 5/20 0.41
PDE5A O76074 4/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TBXAS1 P24557 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 6/20 0.33
PPARA Q07869 6/20 0.33

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
SCHEMBL11112216 0.90 GPR35 (0.44) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11132941 0.89 GPR35 (0.43) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11113502 0.83 GPR35 (0.51) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11104343 0.78 GPR35 (0.46) GPR35CYSLTR2CYSLTR1KMT2AMEN1
SCHEMBL9847122 0.77 GPR35 (0.54) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11111716 0.76 ABCB11 (0.52) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11288378 0.75 PDE5A (0.44) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11109052 0.74 GPR35 (0.54) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11285738 0.73 GPR35 (0.42) ABCB11GPR35PDE5ACYSLTR2CYSLTR1
SCHEMBL11284294 0.73 MEN1 (0.53) ABCB11GPR35PDE5ACYSLTR2CYSLTR1

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-0104018-A2 Benzopyran, benzothiapyran and quinoline compounds and pharmaceutical compositions containing them FISONS plc (GB) 1984-03-28 EP claimed
EP-0104018-A2 Benzopyran, benzothiapyran and quinoline compounds and pharmaceutical compositions containing them FISONS plc (GB) 1984-03-28 EP disclosed