SCHEMBL16852365

SCHEMBL16852365

CCCCCCOc1ccc(-c2ccc(CC)c(F)c2F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTPN11 Q06124 4/20 0.44
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR2 O95136 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.41
PPARD Q03181 3/20 0.40
CNR2 P34972 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
MGLL Q99685 3/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL16852362 0.99 THRA (0.44) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852419 0.95 PPARD (0.41) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852391 0.91 THRA (0.42) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852382 0.91 THRA (0.42) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852374 0.91 THRA (0.42) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852367 0.91 THRA (0.42) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852376 0.91 THRA (0.42) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852364 0.91 CCNT1 (0.38) THRATHRBS1PR1PPARD
SCHEMBL16852436 0.90 THRA (0.44) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL16852430 0.90 THRB (0.40) THRATHRBPTPN11S1PR1S1PR3

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-9951274-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2018-04-24 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed