SCHEMBL7791057

SCHEMBL7791057

CCCCCCC(F)COc1ccc(-c2ncc(-c3ccc(C(=O)OC)cc3)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ S1PR5 Q9H228 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
SCHEMBL7791045 0.90 PTPN11 (0.47) THRATHRBMAPTPTPN11RARB
SCHEMBL7793989 0.88 THRA (0.35) MGLLTAS1R3TAS1R1THRATHRB
SCHEMBL7795427 0.84 THRA (0.35) MGLLTAS1R3TAS1R1THRATHRB
SCHEMBL6256055 0.83 THRA (0.50) MGLLTHRATHRBMAPTSMN1; SMN2
SCHEMBL8024694 0.81 RARB (0.46) MGLLMAPTSMN1; SMN2RARBS1PR4
SCHEMBL7793990 0.81 AAK1 (0.35) MGLLTHRATHRBPTPN11PDGFRB
SCHEMBL7791058 0.80 FAAH (0.37) THRATHRBSMN1; SMN2PTPN11RARB
SCHEMBL9641090 0.78 PTPN11 (0.57) MGLLTHRATHRBERN1PTPN11
SCHEMBL7795422 0.78 MGLL (0.37) MGLLTHRATHRBPTPN11PDGFRB
SCHEMBL8733514 0.77 NPC1 (0.47) THRATHRBMAPTSMN1; SMN2PTPN11

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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