SCHEMBL8894857

SCHEMBL8894857

CCCN(CCC)C(=O)Oc1ccc(OCCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
NR5A1 Q13285 1/20 0.40
AHR P35869 1/20 0.40
LTA4H P09960 1/20 0.39
NPC1 O15118 3/20 0.39
MAOB P27338 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL8895035 0.86 POLB (0.45) THRBTHRANPC1MAPTRAB9A
SCHEMBL8896090 0.84 HTT (0.40) SRD5A1MEN1KMT2ATHRBTHRA
SCHEMBL8896987 0.83 POLB (0.45) THRBTHRAAHRNPC1MAPT
SCHEMBL8895523 0.83 HTT (0.47) MAPTGAA
SCHEMBL8895441 0.79 THRB (0.39) THRBTHRANR5A1LTA4HMAOB
SCHEMBL8897476 0.79 BCHE (0.48) MEN1KMT2AGAA
SCHEMBL8405442 0.78 NR5A1 (0.63) THRBTHRANR5A1LTA4HNPC1
SCHEMBL8895868 0.78 TSHR (0.49) THRBTHRAMAPTGAA
SCHEMBL8895517 0.76 CNR1 (0.38) THRBTHRANR5A1LTA4HMAOB
SCHEMBL8408457 0.75 LTA4H (0.47) NR5A1LTA4HNPC1SMN1; SMN2SLC5A1

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