SCHEMBL9389753

SCHEMBL9389753

CC(C)c1ccc(CCCCCOc2ccc(C(=O)c3c(CCCC(=O)O)[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.48
FFAR1 O14842 3/20 0.47
PPARA Q07869 1/20 0.45
SERPINE1 P05121 2/20 0.45
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PLA2G4B P0C869 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PLA2G4A P47712 1/20 0.41
PPARG P37231 1/20 0.41
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
PPARD Q03181 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL9391657 0.90 PTGDR2 (0.51) OXER1FFAR1PPARASERPINE1S1PR1
SCHEMBL9390873 0.90 OXER1 (0.58) OXER1FFAR1PPARASERPINE1S1PR1
SCHEMBL9394480 0.90 OXER1 (0.56) OXER1FFAR1PPARASERPINE1S1PR1
SCHEMBL9389816 0.84 OXER1 (0.44) OXER1FFAR1PPARASERPINE1S1PR1
SCHEMBL9390776 0.84 FFAR1 (0.47) OXER1FFAR1PPARASERPINE1S1PR1
SCHEMBL9389756 0.83 OXER1 (0.42) OXER1FFAR1PPARASERPINE1S1PR1
SCHEMBL9389762 0.81 LTA4H (0.41) OXER1FFAR1
SCHEMBL9391205 0.81 MCL1 (0.45) OXER1PTGDR2
SCHEMBL9596890 0.80 SRD5A2 (0.51) OXER1FFAR1PPARAPPARGSRD5A1
SCHEMBL9389758 0.80 SRD5A2 (0.51) OXER1FFAR1PPARAPPARGSRD5A1

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-1994018168-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-18 WO disclosed