SCHEMBL317284

SCHEMBL317284

CCCC(OC(=O)/C=C/CN)OC(=O)/C=C/CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
HCAR2 Q8TDS4 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ATM Q13315 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 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
SCHEMBL11149608 0.84 GABRR1 (0.38) GABRR1GABRR2BLMTDP1NPSR1
SCHEMBL8118802 0.80 HCAR2 (0.54) GABRR1GABRR2BLMTDP1NPSR1
SCHEMBL4449228 0.80 HCAR2 (0.54) GABRR1GABRR2BLMTDP1NPSR1
SCHEMBL28282181 0.79 HCAR2 (0.38) TDP1NPSR1LMNATSHRHCAR2
SCHEMBL5831229 0.75 HCAR2 (0.42) TDP1NPSR1LMNATSHRHCAR2
SCHEMBL5831133 0.73 HCAR2 (0.41) TDP1NPSR1TSHRHCAR2TAS1R3
SCHEMBL544590 0.72 TSHR (0.45) TDP1NPSR1LMNATSHRCHRM1
SCHEMBL812314 0.72 CHRM1 (0.31) TDP1NPSR1TSHRCHRM1AKR1A1
SCHEMBL10735447 0.71 ATM (0.69) TDP1NPSR1TSHRHCAR2ATM
SCHEMBL10865162 0.71 MAPT (0.38) GABRR1GABRR2BLMTDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591045-A1 STABILIZING COMPOSITION FOR HALOGEN-CONTAINING POLYMERS Reagens S.p.A. (IT) 2013-05-15 EP disclosed
WO-2012004377-A1 STABILIZING COMPOSITION FOR HALOGEN-CONTAINING POLYMERS REAGENS S.P.A. (IT) 2012-01-12 WO disclosed