SCHEMBL7915947

SCHEMBL7915947

CCCCCOC(CC)[C@@H](OCCCCC)Oc1ccc(Br)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.39
CNR2 P34972 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PLA2G4B P0C869 2/20 0.33
ESR1 P03372 1/20 0.33
FAAH O00519 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RARB P10826 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
SCHEMBL6656930 0.81 MGLL (0.37) TP53TSHRPLA2G4BMAPTCYP3A4
SCHEMBL6656248 0.81 MGLL (0.37) TP53TSHRPLA2G4BMAPTCYP3A4
SCHEMBL6655191 0.78 SLC6A4 (0.39) SLC6A4THRATHRB
SCHEMBL6676707 0.78 SLC6A4 (0.39) SLC6A4THRATHRB
SCHEMBL28270199 0.76 NR5A1 (0.47) TP53TSHRTHRATHRB
SCHEMBL6657628 0.76 NR5A1 (0.35) CNR2TP53TSHRPLA2G4BMAPT
SCHEMBL6656108 0.75 PTPN11 (0.43) CNR2FAAHRARB
SCHEMBL8731575 0.75 NR5A1 (0.50) TP53TSHRTHRATHRBPLA2G4B
SCHEMBL8751857 0.75 NR5A1 (0.50) TP53TSHRTHRATHRBPLA2G4B
SCHEMBL8751856 0.75 NR5A1 (0.50) TP53TSHRTHRATHRBPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP disclosed