SCHEMBL2853384

SCHEMBL2853384

CCC(=O)c1ccc(-c2cc(OCc3ccc(C(O)O)cc3)ccc2CC)c(CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
VDR P11473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PARP10 Q53GL7 2/20 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
SCHEMBL2863408 0.94 VDR (0.49) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2854311 0.90 RXRA (0.44) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2863419 0.85 RAB9A (0.42) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2853381 0.83 VDR (0.58) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2863404 0.78 VDR (0.68) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2852532 0.78 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2857757 0.77 SRD5A2 (0.39) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2854307 0.75 VDR (0.52) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL13604875 0.75 VDR (0.45) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL1074550 0.74 VDR (0.74) RAB9AMAPTNPC1MEN1KMT2A

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