SCHEMBL7793990

SCHEMBL7793990

CCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)c(F)c3)nc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ XDH P47989 2/20 0.35
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ MGLL Q99685 3/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ NR1H4 Q96RI1 2/20 0.31
▸ FAAH O00519 2/20 0.31
▸ RARB P10826 2/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARG P13631 1/20 0.31

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
SCHEMBL7791058 0.90 FAAH (0.37) THRATHRBPTPN11FAAHRARB
SCHEMBL7795403 0.89 CYP3A4 (0.35) AAK1CYP3A4THRATHRBFAAH
SCHEMBL7791049 0.89 THRA (0.34) XDHTHRATHRBS1PR4S1PR1
SCHEMBL7088460 0.85 RARB (0.44) XDHFAAHRARBRARARARG
SCHEMBL7092881 0.83 THRA (0.41) XDHTHRATHRBS1PR4S1PR1
SCHEMBL7091583 0.82 RARB (0.47) FAAHRARBRARARARG
SCHEMBL7791045 0.82 PTPN11 (0.47) XDHTHRATHRBPTPN11RARB
SCHEMBL7794964 0.81 RARB (0.40) CYP3A4RARB
SCHEMBL7791057 0.81 MGLL (0.39) AAK1CYP3A4THRATHRBS1PR4
SCHEMBL8353800 0.80 THRA (0.44) XDHTHRATHRBS1PR4S1PR1

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-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 — — EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 — — US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 — — EP disclosed
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