SCHEMBL7093761

SCHEMBL7093761

CCCCCCCCOc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)cc3F)nc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ PTPN11 Q06124 4/20 0.37
▸ PPARD Q03181 1/20 0.35
▸ RARB P10826 6/20 0.35
▸ FAAH O00519 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ RARA P10276 1/20 0.34

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
SCHEMBL7092881 0.91 THRA (0.41) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL7795403 0.91 CYP3A4 (0.35) THRATHRBRARBFAAHCYP3A4
SCHEMBL8651883 0.91 S1PR4 (0.36) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL8651886 0.91 S1PR4 (0.36) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL7091140 0.89 RARB (0.37) S1PR1RARBFAAHRARA
SCHEMBL7094260 0.86 RARB (0.46) THRATHRBS1PR1S1PR3RARB
SCHEMBL9618022 0.79 PTPN11 (0.44) THRATHRBS1PR1PTPN11RARB
SCHEMBL7793990 0.79 AAK1 (0.35) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL7093920 0.78 RARB (0.50) RARBCYP3A4
SCHEMBL7091899 0.78 RARB (0.50) RARBCYP3A4

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-0739884-B1 Liquid crystal compound and liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2003-08-13 — — EP disclosed
US-5716542-A Liquid crystal compound and liquid crystal composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-02-10 — — US disclosed
EP-0739884-A2 Liquid crystal compound and liquid crystal composition containing the same Takasago International Corporation (JP) 1996-10-30 — — EP disclosed
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