SCHEMBL733499

SCHEMBL733499

CC(Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
CA14 Q9ULX7 1/20 0.53
APEX1 P27695 1/20 0.53
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
CYP3A4 P08684 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL1555336 1.00 MMP8 (0.53) MMP8MMP14CA14APEX1EPHX1
SCHEMBL736304 1.00 MMP8 (0.53) MMP8MMP14CA14APEX1EPHX1
SCHEMBL27486347 0.86 MAPT (0.49) MMP8MMP14CA14EPHX2RAB9A
SCHEMBL29180082 0.86 MAPT (0.57) EPHX2NPC1RAB9AKDM4EMAPT
SCHEMBL6706880 0.85 MAPT (0.40) MMP8MMP14CA14APEX1RAB9A
SCHEMBL9231410 0.85 TSHR (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6706877 0.85 MAPT (0.40) MMP8MMP14CA14APEX1RAB9A
SCHEMBL734962 0.85 TSHR (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL31362160 0.85 TSHR (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL11599210 0.85 RAPGEF4 (0.43) KDM4ELMNA

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110506049-A For combining the peptide ligand of MT1-MMP BICYCLETX LTD 2019-11-26 CN claimed
EP-2123328-A1 Galanthamine derivatives, methods for their obtaining and use Sopharma AD (BG) 2009-11-25 EP claimed
JP-2001508408-A 2001-06-26 JP claimed
EP-1025127-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES Wapharm AB (SE) 2000-08-09 EP claimed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP claimed
WO-1998037097-A1 MSH-RECEPTOR SUBTYPE SELECTIVE CYCLIC PEPTIDES WAPHARM AB (SE) 1998-08-27 WO claimed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
CN-110506049-A For combining the peptide ligand of MT1-MMP BICYCLETX LTD 2019-11-26 CN disclosed
CN-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
CN-105007928-B For treating the synthesizing linear APELIN analogies of heart failure 诺华股份有限公司 2018-03-20 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
CN-102762541-B Diaza derivatives as modulators of chemokine receptors HOFFMAN-LA ROCHE LTD. (CH) 2016-03-16 CN disclosed
CN-104379146-A Compositions and methods for inhibiting viral polymerase BIOCRYST PHARM INC 2015-02-25 CN disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
EP-0023422-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-22 EP disclosed
EP-0007687-B1 SULFONAMIDES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING SAID SULFONAMIDES AND A METHOD FOR CONTROLLING THE GROWTH OF VEGETATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-30 EP disclosed
EP-0007687-A1 Sulfonamides, processes for their preparation, compositions containing said sulfonamides and a method for controlling the growth of vegetation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-02-06 EP disclosed
US-4102671-A HERBICIDES SHELL OIL COMPANY (US) 1978-07-25 US disclosed