SCHEMBL6562861

SCHEMBL6562861

CCC1(c2cc(/C=C/c3ccc(C(=O)O)c(C(=O)O)c3)cs2)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.36
PTPN2 P17706 2/20 0.36
PTPN6 P29350 2/20 0.36
HNF4A P41235 1/20 0.34
PIM1 P11309 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LCK P06239 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 6/20 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
SCHEMBL6562868 1.00 PTPN1 (0.36) PTPN1PTPN2PTPN6HNF4APIM1
SCHEMBL6562937 0.83 PTPN1 (0.36) PTPN1PTPN2PTPN6HNF4APIM1
SCHEMBL6562945 0.83 PTPN1 (0.36) PTPN1PTPN2PTPN6HNF4APIM1
SCHEMBL27502905 0.81 DAO (0.34) HNF4AKDM4ENPC1RAB9A
SCHEMBL3283931 0.79 PTPN1 (0.41) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL3283927 0.79 PTPN1 (0.41) PTPN1PTPN2PTPN6HNF4APTGS2
SCHEMBL6564995 0.78 LCK (0.35) PIM1KDM4ELCK
SCHEMBL27487844 0.77 MEN1 (0.35) PTGS2KMT2A
SCHEMBL27555319 0.70 CDC25A (0.33) HNF4AKDM4EMAPT
SCHEMBL6155682 0.70 PTPN1 (0.43) PTPN1PTPN2PTPN6HNF4APIM1

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 5 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
EP-0863872-B1 PREPARATION OF CHIRAL 3-HYDROXY-2-PYRROLIDINONE DERIVATIVES SYNGENTA LTD (GB) 2002-05-29 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed