SCHEMBL6562937

SCHEMBL6562937

CCC1(c2ccc(/C=C/c3ccc(C(=O)O)c(C(=O)O)c3)s2)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
HNF4A P41235 1/20 0.33
PIM1 P11309 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
LCK P06239 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
APP P05067 4/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL6562945 1.00 PTPN1 (0.36) PTPN1PTPN2PTPN6HNF4APIM1
SCHEMBL6882523 0.86 PTGS2 (0.39) PTPN1PIM1PTGS2KDM4EMAPT
SCHEMBL6882521 0.86 PTGS2 (0.39) PTPN1PIM1PTGS2KDM4EMAPT
SCHEMBL6562868 0.83 PTPN1 (0.36) PTPN1PTPN2PTPN6HNF4APIM1
SCHEMBL6562861 0.83 PTPN1 (0.36) PTPN1PTPN2PTPN6HNF4APIM1
SCHEMBL3283931 0.78 PTPN1 (0.41) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL3283927 0.78 PTPN1 (0.41) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL6564038 0.76 LCK (0.36) PIM1KDM4ELCK
SCHEMBL27555319 0.74 CDC25A (0.33) HNF4AKDM4EMAPTGAA
SCHEMBL6563032 0.73 ALDH1A1 (0.37) KDM4EKMT2AMEN1NPC1RAB9A

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-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed