SCHEMBL19829156

SCHEMBL19829156

CCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
GRM2 Q14416 2/20 0.34
RARB P10826 1/20 0.31
PSMB5 P28074 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PTGS2 P35354 1/20 0.31
MAOB P27338 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18310569 0.95 S1PR1 (0.33) S1PR1S1PR3FFAR1FFAR4ALOX5AP
SCHEMBL19829202 0.92 S1PR1 (0.36) S1PR1S1PR3FFAR1ALOX5APFEN1
SCHEMBL19829173 0.89 S1PR1 (0.36) S1PR1S1PR3FFAR1FFAR4ALOX5AP
SCHEMBL18310577 0.89 S1PR1 (0.36) S1PR1S1PR3FFAR1FFAR4ALOX5AP
SCHEMBL19829204 0.88 S1PR1 (0.35) S1PR1S1PR3FFAR4GRM2RARB
SCHEMBL19829192 0.88 FFAR1 (0.35) S1PR1S1PR3FFAR1FFAR4ALOX5AP
SCHEMBL17050127 0.88 AKR1C3 (0.35) S1PR1S1PR3FFAR1FFAR4ALOX5AP
SCHEMBL19829155 0.88 MAOB (0.35) S1PR1S1PR3FFAR4RARBPSMB5
SCHEMBL18310587 0.87 FFAR1 (0.34) S1PR1S1PR3FFAR1FFAR4ALOX5AP
SCHEMBL12623114 0.86 RARB (0.41) S1PR1S1PR3FFAR1FFAR4ALOX5AP

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-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed