SCHEMBL2863408

SCHEMBL2863408

CCCc1cc(C(=O)CC)ccc1-c1cc(OCc2ccc(C(O)O)cc2)ccc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.49
PPARG P37231 9/20 0.44
PPARA Q07869 9/20 0.44
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
HSP90AA1 P07900 1/20 0.41
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL2853384 0.94 RAB9A (0.46) VDRPPARGPPARARAB9ASMN1; SMN2
SCHEMBL2863419 0.91 RAB9A (0.42) VDRPPARGPPARARAB9ASMN1; SMN2
SCHEMBL2854311 0.86 RXRA (0.44) VDRRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL2863404 0.85 VDR (0.68) VDRPPARGPPARARAB9ASMN1; SMN2
SCHEMBL13604875 0.83 VDR (0.45) VDRPPARGPPARASMN1; SMN2MAPT
SCHEMBL1074550 0.81 VDR (0.74) VDRPPARGRAB9AMAPTNPC1
SCHEMBL2858864 0.79 VDR (0.49) VDRPPARGPPARARAB9ASMN1; SMN2
SCHEMBL1022002 0.79 MTNR1A (0.44) VDRPPARGPPARAKMT2AMEN1
SCHEMBL2856534 0.79 VDR (0.42) VDRPPARGPPARARAB9ASMN1; SMN2
SCHEMBL2858262 0.78 VDR (0.43) VDRPPARGPPARAALDH1A1HTT

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