SCHEMBL6563986

SCHEMBL6563986

CCC(O)(CC)CCC=C(C)c1csc(COc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
APEX1 P27695 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 2/20 0.31
PTPN11 Q06124 1/20 0.30
PYGL P06737 1/20 0.30
PYGM P11217 1/20 0.30

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
SCHEMBL6563982 1.00 DAO (0.33) DAOALDH1A1POLBNPC1APEX1
SCHEMBL6885428 0.89 ALOX5AP (0.33) NPC1RAB9ATDP1MAOB
SCHEMBL6885431 0.89 ALOX5AP (0.33) NPC1RAB9ATDP1MAOB
SCHEMBL6566263 0.86 DAO (0.30) DAO
SCHEMBL6566259 0.86 DAO (0.30) DAO
SCHEMBL6562969 0.83 MRGPRX4 (0.34) ALDH1A1POLBNPC1APEX1RAB9A
SCHEMBL6562973 0.83 MRGPRX4 (0.34) ALDH1A1POLBNPC1APEX1RAB9A
SCHEMBL6562992 0.83 MAOB (0.35) ALDH1A1L3MBTL1MAOB
SCHEMBL6562982 0.83 MAOB (0.35) ALDH1A1L3MBTL1MAOB
SCHEMBL6562780 0.82 VDR (0.36)

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