SCHEMBL6249403

SCHEMBL6249403

CCCCCCCCOc1ccc(-c2cnc(-c3ccc(O)c(F)c3)nc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
FAAH O00519 2/20 0.46
CNR1 P21554 2/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PTPN11 Q06124 2/20 0.44
SMPD1 P17405 1/20 0.42
ESR1 P03372 2/20 0.41
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40

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
SCHEMBL8774006 0.90 MGLL (0.53) MGLLTHRATHRBFAAHCNR1
SCHEMBL8774258 0.90 MGLL (0.53) MGLLTHRATHRBFAAHCNR1
SCHEMBL8774059 0.90 MGLL (0.53) MGLLTHRATHRBFAAHCNR1
SCHEMBL8773996 0.90 MGLL (0.53) MGLLTHRATHRBFAAHCNR1
SCHEMBL9399213 0.87 NPC1 (0.47) MGLLTHRATHRBFAAHS1PR1
SCHEMBL9197034 0.87 RARB (0.50) MGLLFAAHCNR1
SCHEMBL7109864 0.85 MGLL (0.46) MGLLFAAHCNR1
SCHEMBL9198614 0.85 MGLL (0.46) MGLLFAAHCNR1
SCHEMBL9740927 0.83 MEN1 (0.52) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL8108949 0.83 MGLL (0.49) MGLLFAAHCNR1PTPN11SMPD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11060561-A None JP disclosed
EP-0884309-B1 Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing optically active carboxylic acid SEMICONDUCTOR ENERGY LAB (JP) 2005-09-07 EP disclosed
US-5965059-A Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing an optically active carboxylic acid TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-10-12 US disclosed
JP-H1160561-A OPTICALLY ACTIVE COMPOUND, ANTIFERROELECTRTIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME COMPOUND, PRODUCTION OF THE SAME COMPOUND AND PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID TAKASAGO INTERNATL CORP 1999-03-02 JP disclosed
EP-0884309-A1 Optically active compound, antiferroelectric liquid crystal composition containing the same, process for producing the same and process for producing optically active carboxylic acid Takasago International Corporation (JP) 1998-12-16 EP disclosed