SCHEMBL7874982

SCHEMBL7874982

O=C(Cl)OCOC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.51
CHRM3 P20309 4/20 0.51
CHRM2 P08172 3/20 0.51
CHRM4 P08173 3/20 0.51
KLK7 P49862 4/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC3 O15379 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
SCHEMBL9189904 0.79 CHRM1 (0.57) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL2866437 0.79 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL2866421 0.76 CYP1A2 (0.59) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL7878308 0.76 CHRM2 (0.58) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL2864950 0.76 CHRM1 (0.62) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL392909 0.75 KLK7 (0.48) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL7876959 0.75 CHRM1 (0.52) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL8847193 0.75 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL7956514 0.75 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4KLK7
SCHEMBL2310025 0.75 LMNA (0.62) CHRM1CHRM3CHRM2CHRM4KLK7

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-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed