SCHEMBL8895517

SCHEMBL8895517

CCCNC(=O)N(CCC)c1ccc(OCCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
LTA4H P09960 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NR5A1 Q13285 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL8896182 0.86 HTT (0.38) THRATHRBMTNR1AMTNR1BPOLB
SCHEMBL8895441 0.85 THRB (0.39) LTA4HTHRATHRBNR5A1POLB
SCHEMBL8897476 0.80 BCHE (0.48)
SCHEMBL8895444 0.78 KMT2A (0.50) POLBHTTRECQLL3MBTL1
SCHEMBL8895486 0.78 NPC1 (0.52) POLBALDH1A1
SCHEMBL8895523 0.78 HTT (0.47) CNR1CNR2HTTRECQLL3MBTL1
SCHEMBL8895035 0.76 POLB (0.45) THRATHRBPOLBALDH1A1L3MBTL1
SCHEMBL8894857 0.76 SRD5A1 (0.43) LTA4HTHRATHRBNR5A1MAOB
SCHEMBL8896987 0.73 POLB (0.45) THRATHRBPOLBALDH1A1L3MBTL1
SCHEMBL8405442 0.73 NR5A1 (0.63) LTA4HTHRATHRBNR5A1

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