SCHEMBL8895441

SCHEMBL8895441

CCCN(C(N)=O)c1ccc(OCCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
THRA P10827 2/20 0.39
NR5A1 Q13285 1/20 0.39
POLB P06746 1/20 0.38
MAOB P27338 2/20 0.37
LTA4H P09960 2/20 0.37
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
CYP3A4 P08684 3/20 0.37
GPR84 Q9NQS5 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8895517 0.85 CNR1 (0.38) THRBTHRANR5A1POLBMAOB
SCHEMBL8896693 0.84 HTT (0.38) THRBTHRAPOLB
SCHEMBL8895035 0.79 POLB (0.45) THRBTHRAPOLBTP53TSHR
SCHEMBL8894857 0.79 SRD5A1 (0.43) THRBTHRANR5A1MAOBLTA4H
SCHEMBL8896987 0.77 POLB (0.45) THRBTHRAPOLBTP53TSHR
SCHEMBL8895523 0.76 HTT (0.47)
SCHEMBL8405442 0.76 NR5A1 (0.63) THRBTHRANR5A1LTA4HGPR84
SCHEMBL8895868 0.74 TSHR (0.49) THRBTHRAPOLBTP53TSHR
SCHEMBL8409213 0.73 DRD4 (0.46) NR5A1MAOBLTA4H
SCHEMBL8408457 0.73 LTA4H (0.47) NR5A1POLBLTA4HGPR84

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
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed