SCHEMBL7876959

SCHEMBL7876959

CCSC(=O)OCOC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.52
CHRM3 P20309 4/20 0.52
CHRM2 P08172 3/20 0.52
CHRM4 P08173 3/20 0.52
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KLK7 P49862 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL7715661 0.86 PTGS2 (0.38) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL7878782 0.85 MEN1 (0.49) LMNAL3MBTL1MAPTTDP1KMT2A
SCHEMBL7713699 0.81 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL8448318 0.78 LMNA (0.54) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL9189904 0.76 CHRM1 (0.57) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL2310025 0.76 LMNA (0.62) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL7874982 0.75 CHRM1 (0.51) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL5989265 0.73 ALDH1A1 (0.50) LMNACYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL3953134 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL24678431 0.71 ALDH1A1 (0.58) LMNAALDH1A1CYP3A4SMN1; SMN2L3MBTL1

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