SCHEMBL8436573

SCHEMBL8436573

CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.65
HDAC2 Q92769 2/20 0.65
CA1 P00915 1/20 0.55
CTSL P07711 6/20 0.54
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
POLB P06746 1/20 0.52
TGM2 P21980 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8436567 1.00 HDAC1 (0.65) HDAC1HDAC2CA1CTSLFNTA
SCHEMBL27857345 0.91 HDAC1 (0.55) HDAC1HDAC2CA1CTSLFNTA
SCHEMBL8435352 0.86 HDAC1 (0.63) HDAC1HDAC2CTSLTGM2
SCHEMBL8435348 0.86 HDAC1 (0.63) HDAC1HDAC2CTSLTGM2
SCHEMBL8433969 0.84 CTSL (0.62) HDAC1HDAC2CTSLTGM2
SCHEMBL8433892 0.84 CTSL (0.62) HDAC1HDAC2CTSLTGM2
SCHEMBL8436808 0.84 CTSL (0.62) HDAC1HDAC2CTSLTGM2
SCHEMBL8432468 0.84 CTSL (0.65) HDAC1HDAC2CTSL
SCHEMBL8432473 0.84 CTSL (0.65) HDAC1HDAC2CTSL
SCHEMBL11556459 0.83 HDAC1 (0.57) HDAC1HDAC2CTSLTGM2

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-5885816-A OPTICALLY RESOLVING A RACEMIC MIXTURE OF AMINO ACID DERIVATIVES, COMPRISING USING A NONSPECIFIC CATALYTIC ANTIBODY WHICH ENANTIOSELECTIVELY HYDROLIZES VARIOUS AMINO ACID ESTER DERIVATIVES PROTEIN ENGINEERING RESEARCH INSTITUTE (JP) 1999-03-23 US disclosed
EP-0765940-A1 CATALYTIC ANTIBODY WHICH HYDROLYZES AMINO ACID ESTER DERIVATIVE ENANTIOSELECTIVELY PROTEIN ENGINEERING RESEARCH INSTITUTE (JP) 1997-04-02 EP disclosed