SCHEMBL7902168

SCHEMBL7902168

NC(=O)CC[C@@](N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.59
ARG2 P78540 2/20 0.59
HIF1A Q16665 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FDPS P14324 1/20 0.41
EPHX1 P07099 1/20 0.39
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
BLM P54132 1/20 0.38
KEAP1 Q14145 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
PRMT1 Q99873 1/20 0.36

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
SCHEMBL343695 0.88 ARG1 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL29278348 0.88 ARG1 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL1531672 0.88 ARG1 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL22689266 0.84 ARG1 (0.79) ARG1ARG2HIF1ASMN1; SMN2SLC6A2
SCHEMBL8351006 0.83 SMN1; SMN2 (0.69) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL7653153 0.82 ARG1 (0.62) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL14478223 0.81 ARG1 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL27469449 0.81 ARG1 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL2172319 0.80 SMN1; SMN2 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2
SCHEMBL9457635 0.80 SMN1; SMN2 (0.60) ARG1ARG2HIF1ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277880-B1 ANTIBODY DIRECTED ENZYME PRODUG THERAPY ZENECA LIMITED (GB) 2001-08-21 US disclosed
EP-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP disclosed
US-5714148-A PRODRUGS WHICH ARE SUBSTRATES FOR CARBOXYPEPTIDASE G2 AND YIELD ACTIVE CYTOTOXIC DRUGS ZENECA LIMITED (GB) 1998-02-03 US disclosed
US-5660829-A DEESTERIFYING COMPOUND TO FORM N-(4(N,N-BIS(2-CHLOROETHYL) AMINO)PHENOXYCARBONYL)-L-GLUTAMIC ACID-GAMMA-(3,5-DICARBOXY)ANILIDE ZENECA LIMITED (GB) 1997-08-26 US disclosed
US-5587161-A TWO COMPONENT SYSTEM INCLUDING ANTIBODY OR ANTIGEN BINDING FRAGMENT CONJUGATED TO CARBOXYPEPTIDASE G ENZYME, COMPOUND CONVERTIBLE TO CYTOTOXIC DRUG UNDER INFLUENCE OF ENZYME ZENECA LIMITED (GB) 1996-12-24 US disclosed
EP-0651740-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1995-05-10 EP disclosed
US-5405990-A For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents ZENECA LIMITED (GB) 1995-04-11 US disclosed
WO-1994002450-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1994-02-03 WO disclosed