SCHEMBL7743897

SCHEMBL7743897

CCCCN(NC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
KDM5A P29375 8/20 0.37
KDM4C Q9H3R0 8/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
PHF8 Q9UPP1 3/20 0.35
KDM4A O75164 2/20 0.35
AKR1B1 P15121 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL8648404 0.92 GPR84 (0.40) KDM5AKDM4CALDH1A1PHF8ALOX15
SCHEMBL11650931 0.87 CA12 (0.39) CA12CA1CA9KDM5AKDM4C
SCHEMBL3602153 0.83 CA12 (0.36) CA12CA1CA9KDM5AKDM4C
SCHEMBL7818338 0.80 CA12 (0.40) CA12CA1CA9KDM5AKDM4C
SCHEMBL27376019 0.79 CA12 (0.48) CA12CA1CA9KDM5AKDM4C
SCHEMBL22750272 0.79 KDM5A (0.38) KDM5AKDM4CALDH1A1PHF8AKR1B1
SCHEMBL30771785 0.78 DNM1 (0.40) KDM5AKDM4CALDH1A1PHF8ALOX15
SCHEMBL28383235 0.77 CA12 (0.46) CA12CA1CA9KDM5AKDM4C
SCHEMBL28420750 0.77 CA12 (0.46) CA12CA1CA9KDM5AKDM4C
SCHEMBL28569938 0.77 ALDH1A1 (0.33) ALDH1A1PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 WO disclosed
EP-1095001-A4 METHOD OF VITAMIN PRODUCTION DCV INC (US) 2001-09-26 EP disclosed
EP-1095002-A1 METHOD OF VITAMIN PRODUCTION DCV Inc. doing business as Bio-Technical Resourses (US) 2001-05-02 EP disclosed
EP-1095001-A1 METHOD OF VITAMIN PRODUCTION DCV Inc. doing business as Bio-Technical Resourses (US) 2001-05-02 EP disclosed
WO-2000001649-A1 METHOD OF VITAMIN PRODUCTION DCV, INC. DOING BUSINESS AS BIO-TECHNICAL RESOURCES (US) 2000-01-13 WO disclosed
WO-2000001650-A1 METHOD OF VITAMIN PRODUCTION DCV, INC. DOING BUSINESS AS BIO-TECHNICAL RESOURCES (US) 2000-01-13 WO disclosed