Toluene

Toluene

SCHEMBL7906483

Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.Cc1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.78
MMP8 P22894 7/20 0.78
MMP13 P45452 2/20 0.78
ADAMTS4 O75173 1/20 0.78
MMP2 P08253 15/20 0.63
MMP12 P39900 6/20 0.58
MMP14 P50281 6/20 0.58
MMP3 P08254 1/20 0.58
TDP1 Q9NUW8 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL5182861 0.96 MMP9 (0.74) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL255603 0.96 MMP9 (0.74) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL697840 0.96 MMP9 (0.74) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL28937664 0.94 MMP9 (0.72) MMP9MMP8MMP13ADAMTS4MMP2
Water SCHEMBL30893957 0.94 MMP9 (0.72) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL29186820 0.94 MMP9 (0.72) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL698929 0.89 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL698930 0.89 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL716323 0.89 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL8448575 0.88 MMP2 (0.67) MMP9MMP8MMP13ADAMTS4MMP2

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 9 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
US-5958971-A PRODRUGS OF NITROGEN MUSTARD, AN ANTICARCINOGENIC AND TUMOR AGENT; ANTIBODY DIRECTED ENZYME PRODRUG THERAPY (ADEPT); BIOCHEMICAL CONJUGATION ZENECA LIMITED (GB) 1999-09-28 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