SCHEMBL7795427

SCHEMBL7795427

CCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(C(=O)O[C@H](CCCCCC)C(F)(F)F)cc3)nc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RARB P10826 2/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ PTPN11 Q06124 2/20 0.33
▸ MGLL Q99685 3/20 0.32
▸ PLA2G2D Q9UNK4 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ AAK1 Q2M2I8 2/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ GCGR P47871 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ PPARD Q03181 2/20 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
SCHEMBL7793989 0.97 THRA (0.35) THRATHRBRARBS1PR1S1PR4
SCHEMBL7795406 0.87 RARB (0.39) THRATHRBRARB
SCHEMBL7791047 0.87 RARB (0.39) THRATHRBRARB
SCHEMBL7791057 0.84 MGLL (0.39) THRATHRBRARBS1PR1S1PR4
SCHEMBL9062630 0.84 PTPN11 (0.48) THRATHRBRARBS1PR1S1PR4
SCHEMBL9062805 0.84 PTPN11 (0.48) THRATHRBRARBS1PR1S1PR4
SCHEMBL9062392 0.84 PTPN11 (0.48) THRATHRBRARBS1PR1S1PR4
SCHEMBL7791045 0.82 PTPN11 (0.47) THRATHRBRARBPTPN11RARA
SCHEMBL7785434 0.81 RAB9A (0.42) RARB
SCHEMBL9746991 0.80 RARB (0.48) THRATHRBRARBS1PR1S1PR4

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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