SCHEMBL9390776

SCHEMBL9390776

O=C(O)CCCc1[nH]c2ccccc2c1C(=O)c1ccc(OCCCCc2ccc(CC3CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
PPARA Q07869 1/20 0.45
OXER1 Q8TDS5 1/20 0.44
SERPINE1 P05121 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR5 Q9H228 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PLA2G4B P0C869 1/20 0.39
PPARG P37231 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38

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
SCHEMBL9392943 0.88 LTA4H (0.40) FFAR1OXER1KDM4EMEN1KMT2A
SCHEMBL9391657 0.86 PTGDR2 (0.51) FFAR1PPARAOXER1SERPINE1S1PR1
SCHEMBL9390873 0.86 OXER1 (0.58) FFAR1PPARAOXER1SERPINE1MEN1
SCHEMBL9394480 0.86 OXER1 (0.56) FFAR1PPARAOXER1SERPINE1S1PR1
SCHEMBL9390901 0.85 LTA4H (0.39) FFAR1OXER1KDM4EMEN1KMT2A
SCHEMBL9389753 0.84 OXER1 (0.48) FFAR1PPARAOXER1SERPINE1S1PR1
SCHEMBL9392908 0.80 OXER1 (0.41) FFAR1OXER1KDM4EMEN1KMT2A
SCHEMBL9389756 0.78 OXER1 (0.42) FFAR1PPARAOXER1SERPINE1S1PR1
SCHEMBL9389816 0.78 OXER1 (0.44) FFAR1PPARAOXER1SERPINE1S1PR1
SCHEMBL9390897 0.77 OXER1 (0.52) PPARAOXER1SERPINE1KDM4EMEN1

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-1994026710-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed