SCHEMBL7971402

SCHEMBL7971402

CCOC(=O)C(I)CCCI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7973143 0.96 CPB2 (0.42) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL25341569 0.94 CPB2 (0.45) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL2865545 0.91 CPB2 (0.47) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL6761975 0.91 CPB2 (0.43) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL7067176 0.89 ALDH1A1 (0.40) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL6817900 0.87 CA2 (0.44) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL2868252 0.86 ALDH1A1 (0.46) CPB2ALDH1A1CYP1A2LMNAHSD17B10
SCHEMBL27962385 0.85 ZDHHC7 (0.44) CPB2
SCHEMBL6821576 0.83 ZDHHC7 (0.47) CPB2
SCHEMBL27962371 0.83 ZDHHC7 (0.47) CPB2

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-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed