SCHEMBL10445846

SCHEMBL10445846

CCCCCCCCOc1ccc(COC2(O)C=CC(c3ccccc3)C=C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
LTA4H P09960 2/20 0.44
PLA2G4B P0C869 3/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR5 Q9H228 4/20 0.41
FAAH O00519 5/20 0.40

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
SCHEMBL10449056 0.84 PPARG (0.42) NR5A1LTA4HTP53TSHR
SCHEMBL21224652 0.84 PPARG (0.42) NR5A1LTA4HTP53TSHR
SCHEMBL10448679 0.80 TP53 (0.51) PLA2G4BTP53TSHRFAAH
SCHEMBL8969958 0.77 FAAH (0.50) LTA4HPLA2G4BTP53TSHRFAAH
SCHEMBL9514225 0.75 NR5A1 (0.46) NR5A1LTA4HTP53TSHR
SCHEMBL10598615 0.71 PPARG (0.39) NR5A1LTA4HTP53TSHRFAAH
SCHEMBL27974031 0.71 LTA4H (0.66) NR5A1LTA4HPLA2G4BTP53TSHR
SCHEMBL15923575 0.71 LTA4H (0.66) NR5A1LTA4HPLA2G4BTP53TSHR
SCHEMBL9462288 0.71 PPARG (0.45) PLA2G4BTP53TSHR
SCHEMBL4184936 0.71 PPARG (0.45) PLA2G4BTP53TSHR

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-0351782-A2 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI, LTD. (JP) 1990-01-24 EP disclosed