SCHEMBL9854656

SCHEMBL9854656

NC(=O)CCCC(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
C3AR1 Q16581 1/20 0.40
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
HTR3A P46098 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL4582124 0.90 CNR1 (0.46) CNR1CNR2CA2MEN1KMT2A
SCHEMBL2538851 0.86 TBXAS1 (0.47) CNR1CNR2CA2NPC1RAB9A
SCHEMBL4219820 0.84 HRH1 (0.57) CNR1CNR2C3AR1HTR2AHRH1
SCHEMBL1596654 0.81 ESR1 (0.46) CNR1CNR2CA2MEN1KMT2A
SCHEMBL9838263 0.81 ESR1 (0.46) CNR1CNR2CA2MEN1KMT2A
SCHEMBL51338 0.81 TBXAS1 (0.54) CNR1CNR2CA2TSHRNFKB1
SCHEMBL9092531 0.79 TBXAS1 (0.56) CNR1CNR2TSHRNFKB1SRC
SCHEMBL9092430 0.79 TBXAS1 (0.56) CNR1CNR2TSHRNFKB1SRC
SCHEMBL9623307 0.79 ESR1 (0.44) CNR1CNR2CA2MEN1KMT2A
SCHEMBL9623721 0.79 ESR1 (0.44) CNR1CNR2CA2MEN1KMT2A

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-0406640-A2 Thermoplastic polycarbonate compositions having improved oxygen barrier properties GENERAL ELECTRIC COMPANY (US) 1991-01-09 EP disclosed