SCHEMBL27362956

SCHEMBL27362956

CCCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 2/20 0.49
CHRM2 P08172 4/20 0.48
CHRM1 P11229 4/20 0.48
CHRM3 P20309 4/20 0.48
CHRM4 P08173 2/20 0.48
ALDH1A1 P00352 3/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 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
Chlorobenzilate SCHEMBL28048828 0.86 MEN1 (0.60) MEN1KMT2APOLBCHRM2CHRM1
Chlorobenzilate SCHEMBL73255 0.86 MEN1 (0.60) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL5158545 0.83 MEN1 (0.68) MEN1KMT2APOLBCHRM2CHRM1
Chlorobenzilate SCHEMBL6243435 0.81 MEN1 (0.54) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL11597466 0.81 CYP3A4 (0.41) MEN1KMT2APOLBCHRM1ALDH1A1
SCHEMBL27347358 0.81 MEN1 (0.54) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL11841428 0.77 MEN1 (0.66) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL27690538 0.76 CYP3A4 (0.44) MEN1KMT2APOLBCHRM2CHRM1
Chlorobenzilate SCHEMBL11228679 0.75 MEN1 (0.51) MEN1KMT2APOLBCHRM2CHRM1
Chlorobenzilate SCHEMBL29993079 0.75 KMT2A (0.48) MEN1KMT2APOLBCHRM2CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073795-C Agricultural chemical composition KAO CORP (JP) 2001-10-31 CN disclosed
CN-1111474-A Agricultural chemical composition KAO CORP (JP) 1995-11-15 CN disclosed