SCHEMBL7791049

SCHEMBL7791049

CCCCCCC(F)COc1cnc(-c2ccc(OC(=O)C(C)CCCCC)c(F)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALKBH1 Q13686 1/20 0.34
▸ FAAH O00519 6/20 0.33
▸ XDH P47989 2/20 0.33
▸ RARB P10826 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
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ SMPD1 P17405 1/20 0.32

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 0.94 FAAH (0.37) THRATHRBFAAHRARBPTPN11
SCHEMBL7793990 0.89 AAK1 (0.35) THRATHRBFAAHXDHRARB
SCHEMBL7795424 0.86 RARB (0.39) RARBSMPD1
SCHEMBL8840890 0.85 THRA (0.38) THRATHRBFAAHRARBS1PR4
SCHEMBL7091583 0.82 RARB (0.47) FAAHRARBSMPD1
SCHEMBL7092568 0.81 RARB (0.51) THRATHRBRARBS1PR1PTPN11
SCHEMBL7795403 0.79 CYP3A4 (0.35) THRATHRBFAAHRARB
SCHEMBL7088460 0.78 RARB (0.44) FAAHXDHRARBSMPD1
SCHEMBL7791045 0.78 PTPN11 (0.47) THRATHRBXDHRARBPTPN11
SCHEMBL7794964 0.78 RARB (0.40) RARBSMPD1

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
Send feedback