SCHEMBL9019317

SCHEMBL9019317

C/C=C/CCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(O)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
OPRL1 P41146 12/20 0.33
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL9015421 0.97 DGAT1 (0.38) DGAT1FFAR4OPRL1CYP17A1CYP3A4
SCHEMBL9019812 0.91 ALOX5AP (0.32)
SCHEMBL8961261 0.89 DGAT1 (0.36) DGAT1FFAR4OPRL1
SCHEMBL13000020 0.89 DGAT1 (0.33) DGAT1FFAR4OPRL1
SCHEMBL9015592 0.88 ALOX5AP (0.33) DGAT1
SCHEMBL8961495 0.88 DGAT1 (0.35) DGAT1FFAR4OPRL1
SCHEMBL8961480 0.87 DGAT1 (0.35) DGAT1FFAR4OPRL1
SCHEMBL9018733 0.87 DGAT1 (0.33) DGAT1FFAR4OPRL1
SCHEMBL8934464 0.86 DGAT1 (0.38) DGAT1FFAR4OPRL1
SCHEMBL8961447 0.86 DGAT1 (0.33) DGAT1FFAR4OPRL1

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed