SCHEMBL6562973

SCHEMBL6562973

CCC(O)(CC)CCC=C(C)c1ccc(COc2ccc(C(=O)O)c(C(=O)O)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.34
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 0.32
PRSS1 P07477 2/20 0.31
TMPRSS15 P98073 2/20 0.31
FFAR1 O14842 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6562969 1.00 MRGPRX4 (0.34) MRGPRX4ALDH1A1POLBNPC1APEX1
SCHEMBL6889766 0.89 MRGPRX4 (0.37) MRGPRX4POLBNPC1RAB9ATDP1
SCHEMBL6889768 0.89 MRGPRX4 (0.37) MRGPRX4POLBNPC1RAB9ATDP1
SCHEMBL6562808 0.85 MRGPRX4 (0.31) MRGPRX4ALDH1A1PRSS1TMPRSS15
SCHEMBL6562805 0.85 MRGPRX4 (0.31) MRGPRX4ALDH1A1PRSS1TMPRSS15
SCHEMBL6562982 0.83 MAOB (0.35) MRGPRX4ALDH1A1L3MBTL1MAOB
SCHEMBL6563986 0.83 DAO (0.33) ALDH1A1POLBNPC1APEX1RAB9A
SCHEMBL6563982 0.83 DAO (0.33) ALDH1A1POLBNPC1APEX1RAB9A
SCHEMBL6562992 0.83 MAOB (0.35) MRGPRX4ALDH1A1L3MBTL1MAOB
SCHEMBL6564840 0.82 VDR (0.34)

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-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