SCHEMBL8895035

SCHEMBL8895035

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 4/20 0.43
THRA P10827 3/20 0.43
MAPT P10636 3/20 0.42
PLA2G4B P0C869 1/20 0.42
MLYCD O95822 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8896987 0.98 POLB (0.45) POLBEGFRERBB2TSHRTP53
SCHEMBL8895868 0.92 TSHR (0.49) POLBEGFRERBB2TSHRTP53
SCHEMBL8894857 0.86 SRD5A1 (0.43) THRBTHRAMAPTNPC1LMNA
SCHEMBL8895523 0.85 HTT (0.47) MAPTHRH3L3MBTL1
SCHEMBL8894395 0.85 MEN1 (0.50) POLBEGFRTP53THRBMAPT
SCHEMBL8894804 0.84 POLB (0.46) POLBEGFRERBB2TSHRTP53
SCHEMBL8894388 0.84 MEN1 (0.49) EGFRMAPTNPC1ALDH1A1LMNA
SCHEMBL8895659 0.83 THRB (0.40) POLBEGFRERBB2TSHRTP53
SCHEMBL8894361 0.83 TP53 (0.43) POLBEGFRERBB2TSHRTP53
SCHEMBL8895921 0.82 LSS (0.42) MAPTALDH1A1L3MBTL1

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