SCHEMBL8433557

SCHEMBL8433557

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
CTSB P07858 1/20 0.52

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
SCHEMBL8433550 1.00 CTSL (0.55) CTSLMEN1KMT2AHDAC1HDAC2
SCHEMBL10794620 0.89 HTR2A (0.56) CTSLMEN1KMT2ANPC1TP53
SCHEMBL1801469 0.89 HTR2A (0.56) CTSLMEN1KMT2ANPC1TP53
SCHEMBL8432555 0.89 CTSB (0.53) CTSLMEN1KMT2ACTSB
SCHEMBL8432553 0.89 CTSB (0.53) CTSLMEN1KMT2ACTSB
SCHEMBL11797739 0.88 CTSL (0.57) CTSLMEN1KMT2AHDAC1HDAC2
SCHEMBL11797734 0.88 CTSL (0.57) CTSLMEN1KMT2AHDAC1HDAC2
SCHEMBL15080869 0.88 CTSK (0.61) CTSLMEN1KMT2ALMNACTSB
SCHEMBL30946598 0.88 CTSK (0.61) CTSLMEN1KMT2ALMNACTSB
SCHEMBL12193557 0.88 MEN1 (0.68) CTSLMEN1KMT2ANPC1TP53

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