SCHEMBL8895486

SCHEMBL8895486

CCCNC(=O)c1ccc(OCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MMP1 P03956 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.46
PLK1 P53350 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL8895986 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8897476 0.83 BCHE (0.48) MEN1KMT2A
SCHEMBL8895444 0.81 KMT2A (0.50) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL8408614 0.81 MAPT (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7977626 0.81 NPC1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7979398 0.80 HDAC3 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7979069 0.79 TRPV1 (0.57)
SCHEMBL7979206 0.79 RAB9A (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8896987 0.79 POLB (0.45) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL7979022 0.78 TRPV1 (0.56) NPC1RAB9A

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