SCHEMBL6563990

SCHEMBL6563990

CCC(=CCCC(O)(CC)CC)c1cncc(COc2ccc(C(O)O)cc2)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.32
PLAT P00750 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6566382 0.89 MRGPRX4 (0.32) MRGPRX4CYP4F2CYP4A11NPC1LMNA
SCHEMBL2783369 0.86 MRGPRX4 (0.44) MRGPRX4NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6563985 0.83 VDR (0.44) CYP4F2CYP4A11
SCHEMBL6563996 0.83 VDR (0.44) CYP4F2CYP4A11
SCHEMBL6563980 0.83 VDR (0.44) CYP4F2CYP4A11
SCHEMBL6562882 0.82 CYP4F2 (0.34) MRGPRX4CYP4F2CYP4A11LMNARAB9A
SCHEMBL6562874 0.82 CYP4F2 (0.34) MRGPRX4CYP4F2CYP4A11LMNARAB9A
SCHEMBL6566528 0.81 FFAR1 (0.31)
SCHEMBL6886939 0.81 NPC1 (0.35) MRGPRX4CYP4F2CYP4A11NPC1HPGD
SCHEMBL6886943 0.81 NPC1 (0.35) MRGPRX4CYP4F2CYP4A11NPC1HPGD

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