SCHEMBL9247693

SCHEMBL9247693

CCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)cc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.54
NR5A1 Q13285 1/20 0.51
RARB P10826 4/20 0.50
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PDK2 Q15119 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
LTA4H P09960 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL9244788 1.00 PTPN11 (0.54) PTPN11NR5A1RARBS1PR1S1PR3
SCHEMBL13648658 0.94 PTPN11 (0.52) PTPN11NR5A1RARBS1PR1S1PR3
SCHEMBL13648644 0.94 PTPN11 (0.52) PTPN11NR5A1RARBS1PR1S1PR3
SCHEMBL9845134 0.91 PTPN11 (0.50) PTPN11NR5A1RARBS1PR1S1PR3
SCHEMBL26331612 0.91 NR5A1 (0.62) PTPN11NR5A1RARBS1PR1S1PR3
SCHEMBL9223360 0.91 PTPN11 (0.49) PTPN11NR5A1RARBTSHRTP53
SCHEMBL9227095 0.91 PTPN11 (0.49) PTPN11NR5A1RARBTSHRTP53
SCHEMBL9219095 0.91 PTPN11 (0.49) PTPN11NR5A1RARBTSHRTP53
SCHEMBL9219108 0.91 PTPN11 (0.49) PTPN11NR5A1RARBTSHRTP53
SCHEMBL9228239 0.91 PTPN11 (0.49) PTPN11NR5A1RARBTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414230-B1 Liquid crystal composition and liquid crystal device containing the same SHARP KK (JP) 1995-01-04 EP disclosed
US-5271867-A Liquid crystal composition and liquid crystal device containing the same SHARP KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
EP-0414230-A2 Liquid crystal composition and liquid crystal device containing the same SHARP KABUSHIKI KAISHA (JP) 1991-02-27 EP disclosed