SCHEMBL3283097

SCHEMBL3283097

CCC1(c2cccc(CCc3ccc(C(=O)O)c(C(=O)O)c3)c2)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.39
PPARA Q07869 2/20 0.39
SORT1 Q99523 1/20 0.38
LCK P06239 2/20 0.37
PPARG P37231 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
METAP2 P50579 2/20 0.35
DAO P14920 1/20 0.35
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL6155690 0.85 LCK (0.38) KAT8PPARASORT1LCKHCAR3
SCHEMBL3280588 0.85 CYP4F2 (0.38)
SCHEMBL6564038 0.80 LCK (0.36) KAT8PPARASORT1LCKPPARG
SCHEMBL3283931 0.80 PTPN1 (0.41) LCKRARBRARARARG
SCHEMBL6564995 0.79 LCK (0.35) KAT8PPARASORT1LCKPPARG
SCHEMBL2855045 0.78 VDR (0.39) KAT8PPARASORT1LCKPPARG
SCHEMBL7770806 0.74 VDR (0.36) SORT1CYP26A1CYP26B1
SCHEMBL28875142 0.73 L3MBTL1 (0.36)
SCHEMBL27513285 0.73 CALM1 (0.39)
SCHEMBL7770803 0.73 ALDH1A1 (0.34) CYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed