SCHEMBL8895808

SCHEMBL8895808

CCCN(CCC)C(=O)c1ccc(OCCCOc2c(C)cc(OC(=O)c3ccccc3)cc2CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
PLA2G4B P0C869 1/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
NPC1 O15118 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NFKB1 P19838 1/20 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
SCHEMBL8895512 0.83 POLB (0.42) KMT2AMAPTMEN1POLBLMNA
SCHEMBL8894361 0.81 TP53 (0.43) KMT2AMAPTMEN1POLBTSHR
SCHEMBL8895163 0.80 POLB (0.37) KMT2AMAPTMEN1POLBTSHR
SCHEMBL8894492 0.78 POLB (0.37) MAPTPOLBTSHRPLA2G4BBCHE
SCHEMBL8894804 0.78 POLB (0.46) MAPTPOLBLMNATSHRPLA2G4B
SCHEMBL7629161 0.74 LMNA (0.47) KMT2AMEN1LMNANFKB1NFKB2
SCHEMBL7629649 0.74 TDP1 (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL8895488 0.73 POLB (0.40) MAPTPOLBPLA2G4BBCHEACHE
SCHEMBL7629645 0.73 AKR1C3 (0.37) KMT2AMAPTMEN1POLBLMNA
SCHEMBL8826117 0.73 BCHE (0.50) KMT2AMEN1POLBLMNATSHR

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