SCHEMBL812175

SCHEMBL812175

CCOC(=O)[C@](O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 6/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
AR P10275 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL812176 1.00 LMNA (0.44) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL811589 0.93 LMNA (0.47) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL9308781 0.84 MMP8 (0.52) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL7266498 0.83 ALDH1A1 (0.46) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL812134 0.82 ALDH1A1 (0.40) LMNAALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL2370645 0.82 MMP8 (0.52) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL812135 0.82 LMNA (0.43) LMNAKCNJ1KCNH2ALDH1A1POLB
SCHEMBL7139929 0.81 ALDH1A1 (0.49) LMNAKCNJ1KCNH2ALDH1A1KMT2A
SCHEMBL14861332 0.81 MMP8 (0.57) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL14872349 0.81 MMP8 (0.57) LMNAALDH1A1POLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669395-B2 Optically active 4-amino-3-(4-chlorophenyl)butanoic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-11 US disclosed
EP-2345634-B1 Optically active 4-amino-3-(4-chlorophenyl) butanoic acid SUMITOMO CHEMICAL CO (JP) 2013-03-06 EP disclosed
EP-2345634-A1 Optically active 4-amino-3-(4-chlorophenyl) butanoic acid Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed