SCHEMBL2863419

SCHEMBL2863419

CCCc1cc(C(=O)CC)ccc1-c1cc(OCc2ccc(C(O)O)cc2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PPARG P37231 8/20 0.41
PPARA Q07869 8/20 0.41
HSP90AA1 P07900 1/20 0.41
VDR P11473 1/20 0.40
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL2863408 0.91 VDR (0.49) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2858262 0.86 VDR (0.43) ALDH1A1HTTPPARGPPARAVDR
SCHEMBL2853384 0.85 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2863416 0.84 VDR (0.58) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2856305 0.79 PPARG (0.37) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2851878 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2854311 0.77 RXRA (0.44) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2863404 0.76 VDR (0.68) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2855027 0.76 HTT (0.41) SMN1; SMN2ALDH1A1HTTPPARGPPARA
SCHEMBL13604875 0.73 VDR (0.45) SMN1; SMN2NPC1MAPTKMT2AMEN1

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