SCHEMBL19999575

SCHEMBL19999575

CCCCOc1ccc(-c2ccc(-c3cc(F)c(C#Cc4cc(F)c(C(F)(F)Oc5cc(F)c6c(F)c(F)c(F)cc6c5)cc4C)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
HMOX1 P09601 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL19999486 0.84 RARA (0.33)
SCHEMBL19999582 0.83
SCHEMBL19999654 0.83 ALOX5AP (0.34) S1PR1S1PR3HMOX1ALOX5APFEN1
SCHEMBL19999479 0.82 HMOX1 (0.33) S1PR1S1PR3HMOX1
SCHEMBL19999577 0.81 RARB (0.35) S1PR1S1PR3
SCHEMBL19999608 0.81 HMOX1 (0.35) S1PR1S1PR3HMOX1
SCHEMBL19999523 0.81 S1PR1 (0.33) S1PR1S1PR3ALOX5APFEN1
SCHEMBL19999522 0.80 ACACB (0.33)
SCHEMBL20006745 0.80 AKR1C3 (0.31) ALOX5APFEN1
SCHEMBL18747829 0.79 S1PR1 (0.36) S1PR1S1PR3ALOX5APFEN1

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-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed