SCHEMBL10813610

SCHEMBL10813610

CCOC(=O)[C@@H](NC(=O)CCl)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
MMP8 P22894 1/20 0.50
MDM4 O15151 1/20 0.47
MAPT P10636 1/20 0.47
MDM2 Q00987 1/20 0.47
PPARG P37231 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIN1 Q13526 1/20 0.43
SLC22A1 O15245 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL2635204 0.88 PPARG (0.56) SMN1; SMN2LMNAALDH1A1HTTNCOA1
SCHEMBL14087052 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1HTTMAPT
SCHEMBL11841853 0.83 SMN1; SMN2 (0.62) SMN1; SMN2LMNAMMP8MDM4MAPT
SCHEMBL24661545 0.83 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTMMP8MDM4
SCHEMBL21275416 0.82 SMN1; SMN2 (0.84) SMN1; SMN2LMNAALDH1A1MMP8MDM4
SCHEMBL28510565 0.81 SMN1; SMN2 (0.61) SMN1; SMN2LMNAMMP8MDM4MAPT
SCHEMBL27813948 0.81 ALDH1A1 (0.52) SMN1; SMN2LMNAALDH1A1HTTNCOA1
SCHEMBL28300956 0.80 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1HTTNCOA1
SCHEMBL11127543 0.80 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1HTTNCOA1
SCHEMBL3923931 0.80 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1MMP8CYP3A4

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
US-4716156-A INSECTICIDES, MITICIDES STAUFFER CHEMICAL CO. (US) 1987-12-29 US disclosed
US-4385922-A Method of increasing the yield of legumes utilizing D- or DL-α-O,O-diethlyphosphorodithioylacetylphenylglycine ethyl esters STAUFFER CHEMICAL COMPANY (US) 1983-05-31 US disclosed