SCHEMBL8435348

SCHEMBL8435348

CCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
CTSL P07711 7/20 0.59
CTSS P25774 1/20 0.59
TGM2 P21980 1/20 0.56
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SSTR3 P32745 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
SCHEMBL8435352 1.00 HDAC1 (0.63) HDAC1HDAC2CTSLCTSSTGM2
SCHEMBL11145406 0.90 TGM2 (0.68) HDAC1HDAC2CTSLCTSSTGM2
SCHEMBL11139544 0.90 TGM2 (0.68) HDAC1HDAC2CTSLCTSSTGM2
SCHEMBL11139545 0.90 TGM2 (0.68) HDAC1HDAC2CTSLCTSSTGM2
SCHEMBL8433172 0.88 HDAC1 (0.65) HDAC1HDAC2CTSLTGM2SSTR3
SCHEMBL8436567 0.86 HDAC1 (0.65) HDAC1HDAC2CTSLTGM2
SCHEMBL8436573 0.86 HDAC1 (0.65) HDAC1HDAC2CTSLTGM2
SCHEMBL9189014 0.85 TGM2 (0.60) HDAC1HDAC2CTSLTGM2SIRT2
SCHEMBL8433969 0.85 CTSL (0.62) HDAC1HDAC2CTSLCTSSTGM2
SCHEMBL8433892 0.85 CTSL (0.62) HDAC1HDAC2CTSLCTSSTGM2

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