SCHEMBL7092881

SCHEMBL7092881

CCCCCCCCCCOc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)cc3)nc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PTPN11 Q06124 3/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ XDH P47989 1/20 0.37
▸ RARB P10826 5/20 0.37
▸ FAAH O00519 2/20 0.36
▸ NFKB1 P19838 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL7093761 0.91 THRA (0.38) THRATHRBPTPN11S1PR4S1PR1
SCHEMBL7091899 0.87 RARB (0.50) RARBNFKB1NFKB2RELANPC1
SCHEMBL7093920 0.87 RARB (0.50) RARBNFKB1NFKB2RELANPC1
SCHEMBL8651886 0.85 S1PR4 (0.36) THRATHRBPTPN11S1PR4S1PR1
SCHEMBL8651883 0.85 S1PR4 (0.36) THRATHRBPTPN11S1PR4S1PR1
SCHEMBL7092579 0.84 RARB (0.42) RARBNFKB1NFKB2RELANPC1
SCHEMBL7793990 0.83 AAK1 (0.35) THRATHRBPTPN11S1PR4S1PR1
SCHEMBL7090940 0.83 MAPT (0.49) RARBNFKB1NFKB2RELANPC1
SCHEMBL7795403 0.83 CYP3A4 (0.35) THRATHRBRARBFAAH
SCHEMBL7088460 0.82 RARB (0.44) XDHRARBFAAHNFKB1NFKB2

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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