SCHEMBL2852529

SCHEMBL2852529

CCC(=O)c1ccc(-c2cc(OC(C)c3ccc(OC(=O)c4ccccc4)c(OC(=O)c4ccccc4)c3)ccc2CC)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.37
PPARG P37231 8/20 0.37
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PPARD Q03181 2/20 0.34
HPGD P15428 1/20 0.34
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
KMT2A Q03164 2/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2858865 0.95 PPARG (0.43) PPARAPPARGRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2855102 0.92 PPARA (0.37) PPARAPPARGRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2851882 0.87 PPARA (0.41) PPARAPPARGPPARDLTB4RLTB4R2
SCHEMBL2852532 0.72 SMN1; SMN2 (0.48) PPARGRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2853384 0.70 RAB9A (0.46) PPARAPPARGRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6155010 0.69 KMT2A (0.41) ALDH1A1GAAMAPTHPGDKMT2A
SCHEMBL2886488 0.68 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1GAAMAPTKMT2A
SCHEMBL2858864 0.67 VDR (0.49) PPARAPPARGRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2857757 0.67 SRD5A2 (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL2855100 0.67 SMN1; SMN2 (0.44) PPARGRAB9ASMN1; SMN2ALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed