SCHEMBL8747249

SCHEMBL8747249

CCCC(O)CCC(OC(=O)c1cc[c]cc1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 0.30
ADRB3 P13945 2/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL8747463 0.88
SCHEMBL9056515 0.84 ALDH1A1 (0.40) KMT2AMEN1TSHR
SCHEMBL9058971 0.84 ALDH1A1 (0.40) KMT2AMEN1TSHR
SCHEMBL8747431 0.83 TSHR (0.39) SLC6A4SLC6A2SLC6A3PRKCAPRKCD
SCHEMBL8747246 0.79 GABRA1 (0.34) TSHRGABRA1GABRG2GABRB3GABRA5
SCHEMBL9126844 0.77 NPC1 (0.43) KMT2AMEN1TSHR
SCHEMBL8615658 0.76 CA12 (0.51) SLC6A2SLC6A3KMT2AMEN1TSHR
SCHEMBL8095880 0.75 PRKCA (0.49) SLC6A4SLC6A2SLC6A3PRKCAPRKCD
SCHEMBL10448638 0.75 TSHR (0.43) SLC6A4SLC6A2SLC6A3PRKCAPRKCD
SCHEMBL9057419 0.74 ALDH1A1 (0.39) TSHR

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-0585032-B1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1997-03-05 EP disclosed
US-5340498-A High speed response MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-23 US disclosed
EP-0585032-A1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-03-02 EP disclosed