SCHEMBL18079366

SCHEMBL18079366

CCCCCC1CCC(C(F)(F)Oc2ccc(OCCCCCCCOC(OCCCCCCCOc3ccc(OC(F)(F)C4CCC(CCCCC)CC4)c(F)c3F)C(F)(F)F)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.33
S1PR1 P21453 2/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
S1PR5 Q9H228 2/20 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
SCHEMBL19891913 0.86
SCHEMBL15581161 0.81 L3MBTL1 (0.33)
SCHEMBL13328637 0.79 ALOX5 (0.32)
SCHEMBL14960933 0.79
SCHEMBL28050274 0.78 TRPV1 (0.33)
SCHEMBL9406207 0.76 RIPK1 (0.38) PLA2G2DS1PR1THRATHRBS1PR5
SCHEMBL9406093 0.76 RIPK1 (0.38) PLA2G2DS1PR1THRATHRBS1PR5
SCHEMBL9405851 0.76 RIPK1 (0.38) PLA2G2DS1PR1THRATHRBS1PR5
SCHEMBL17615964 0.76 KDM1A (0.33)
SCHEMBL9405852 0.76 RIPK1 (0.38) PLA2G2DS1PR1THRATHRBS1PR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051210-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL WITH ENCAPSULATED LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME JNC CORPORATION (JP) 2018-02-22 US disclosed
WO-2016143634-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY ELEMENT USING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION OR COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL JNC株式会社 2016-09-15 WO disclosed