SCHEMBL6155685

SCHEMBL6155685

CC1(c2cccc(C=Cc3ccc(C(=O)O)c(C(=O)O)c3)c2)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.43
HNF4A P41235 1/20 0.43
PTPN6 P29350 3/20 0.40
PTPN2 P17706 2/20 0.40
TTR P02766 3/20 0.37
PTGS2 P35354 1/20 0.37
PIM1 P11309 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL6155682 1.00 PTPN1 (0.43) PTPN1HNF4APTPN6PTPN2TTR
SCHEMBL3283927 0.84 PTPN1 (0.41) PTPN1HNF4APTPN6PTPN2TTR
SCHEMBL3283931 0.84 PTPN1 (0.41) PTPN1HNF4APTPN6PTPN2TTR
SCHEMBL6885045 0.84 PTGS2 (0.43) PTPN1PTGS2RARARARBRARG
SCHEMBL6885050 0.84 PTGS2 (0.43) PTPN1PTGS2RARARARBRARG
SCHEMBL6155690 0.77 LCK (0.38) HNF4APIM1CYP26A1LCK
SCHEMBL856168 0.74 ALDH1A1 (0.40)
SCHEMBL29067760 0.74 PTPN1 (0.73) PTPN1HNF4APTPN6PTPN2TTR
SCHEMBL9175452 0.73 PTPN1 (0.67) PTPN1HNF4APTPN6PTPN2PTGS2
SCHEMBL6155882 0.72 MAOB (0.46)

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed