SCHEMBL7795422

SCHEMBL7795422

CCCCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(O)cc3F)nc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.37
▸ USP7 Q93009 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ESR1 P03372 4/20 0.32
▸ RARB P10826 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ GCGR P47871 1/20 0.32
▸ PTPN11 Q06124 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
SCHEMBL7795403 0.81 CYP3A4 (0.35) CYP3A4AAK1THRATHRBRARB
SCHEMBL7791045 0.80 PTPN11 (0.47) THRATHRBRARBPTPN11
SCHEMBL7791057 0.78 MGLL (0.39) MGLLCYP3A4AAK1S1PR4S1PR1
SCHEMBL8024694 0.78 RARB (0.46) MGLLS1PR4S1PR1S1PR3S1PR5
SCHEMBL7795427 0.76 THRA (0.35) MGLLCYP3A4AAK1S1PR4S1PR1
SCHEMBL7793990 0.76 AAK1 (0.35) MGLLCYP3A4AAK1S1PR4S1PR1
SCHEMBL8651141 0.76 S1PR1 (0.42) MGLLUSP7S1PR4S1PR1S1PR3
SCHEMBL8024024 0.75 RARB (0.51) MGLLCYP3A4S1PR1RARBPTPN11
SCHEMBL8984207 0.75 RARB (0.54) USP7CYP3A4ESR1RARB
SCHEMBL8451142 0.74 ESR1 (0.47) MGLLS1PR4S1PR1S1PR3S1PR5

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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