SCHEMBL14889092

SCHEMBL14889092

C[C@@](O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.52
SRC P12931 1/20 0.52
TSHR P16473 4/20 0.44
CES2 O00748 4/20 0.44
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL4967698 1.00 CES1 (0.52) CES1SRCTSHRCES2ALDH1A1
SCHEMBL12083377 0.84 CES1 (0.50) CES1SRCTSHRCES2ALDH1A1
SCHEMBL21310 0.81 CES1 (0.56) CES1SRCTSHRCES2ALDH1A1
SCHEMBL9105008 0.81 CES1 (0.56) CES1SRCTSHRCES2ALDH1A1
SCHEMBL1606581 0.81 CES1 (0.56) CES1SRCTSHRCES2ALDH1A1
SCHEMBL11341422 0.81 CES1 (0.56) CES1SRCTSHRCES2ALDH1A1
SCHEMBL8223282 0.81 CES1 (0.46) CES1CES2MAPTCYP2C19CA1
SCHEMBL9420249 0.81 LMNA (0.40) SRCTSHRTDP1POLBCYP3A4
SCHEMBL14889163 0.81 ALOX15 (0.50) CES1TSHRCES2ALDH1A1POLB
SCHEMBL14889160 0.81 ALOX15 (0.50) CES1TSHRCES2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586769-B1 METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY KANEKA CORP (JP) 2019-01-16 EP disclosed
CN-102906064-B The manufacture method of (1R, 2S)-1-amino-2-vinylcyclopropanecaracidlic acidlic ester that optical purity has been improved KANEKA CORP. (JP) 2015-07-29 CN disclosed
EP-2586769-A1 METHOD FOR PRODUCING (1R, 2S)-1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID ESTER THAT HAS IMPROVED OPTICAL PURITY KANEKA CORPORATION (JP) 2013-05-01 EP disclosed
CN-102906064-A Method for producing (1r, 2s)-1-amino-2-vinyl cyclopropane carboxylic acid ester that has improved optical purity KANEKA CORP 2013-01-30 CN disclosed