SCHEMBL4582016

SCHEMBL4582016

CNc1ccc(C(=O)O)c(O)c1.CNc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 1/20 0.51
KDM4C Q9H3R0 3/20 0.51
CSNK2A1 P68400 1/20 0.50
KLKB1 P03952 1/20 0.49
CTSB P07858 1/20 0.49
MMP9 P14780 1/20 0.49
DNMT1 P26358 1/20 0.49
DNMT3B Q9UBC3 1/20 0.49
DNMT3L Q9UJW3 1/20 0.49
DNMT3A Q9Y6K1 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL730081 0.93 KMT2A (0.57) PTPN1PKMKMT2AKLKB1CTSB
SCHEMBL727904 0.93 KDM4C (0.57) PKMKMT2AKDM4CCSNK2A1KLKB1
Hydroquinone SCHEMBL28816725 0.88 CA1 (0.60) PKMKMT2AKDM4CCSNK2A1KLKB1
SCHEMBL11567922 0.86 PTPN1 (0.54) PTPN1PKMKMT2AKDM4CCSNK2A1
SCHEMBL709947 0.81 HSD17B10 (0.47) PKMKMT2AKDM4CALDH1A1MAPT
SCHEMBL4582019 0.79 KDM4E (0.48) PKMKMT2AKDM4CALDH1A1CA12
SCHEMBL12904426 0.78 P2RX1 (0.43) PKMKMT2AKDM4CALDH1A1CA12
SCHEMBL13596077 0.78 ALDH1A1 (0.52) PKMKMT2AALDH1A1CA12CA1
SCHEMBL18331069 0.77 CA1 (0.59) PTPN1PKMKMT2AKDM4CCSNK2A1
SCHEMBL2130340 0.77 CA1 (0.59) PTPN1KMT2AKDM4CCSNK2A1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910275-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP claimed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO claimed