SCHEMBL4717704

SCHEMBL4717704

COC(=O)CCC(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.56
KDM4A O75164 2/20 0.56
KDM4C Q9H3R0 2/20 0.56
KDM2A Q9Y2K7 2/20 0.56
TET3 O43151 1/20 0.56
TSHR P16473 3/20 0.52
SLC1A1 P43005 1/20 0.52
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
OR51E2 Q9H255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL14436820 1.00 TET2 (0.56) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3573769 0.85 TSHR (0.54) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3579935 0.84 GPR84 (0.57) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3580512 0.84 GPR84 (0.57) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL17055793 0.82 TSHR (0.52) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL4057765 0.82 TSHR (0.52) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL14436811 0.82 TSHR (0.52) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL27871507 0.78 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL13977157 0.78 TSHR (0.48) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL5313852 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924327-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-05-28 EP disclosed
EP-1874407-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-09 EP disclosed
WO-2006108679-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108682-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed