SCHEMBL2875967

SCHEMBL2875967

CCC(=O)c1cc[c]c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AB1 P08238 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 2/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
BRD4 O60885 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
SCHEMBL2880911 0.86 ATM (0.39) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL1975768 0.81 PARP1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL1636144 0.79 ATM (0.42) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL55069 0.79 ATM (0.42) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL28382631 0.79 ATM (0.42) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL11816303 0.78 ATM (0.41) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL5453339 0.78 ATM (0.41) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL8413574 0.76 ATM (0.40) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL8763459 0.76 ATM (0.44) ATMMAPTSMN1; SMN2L3MBTL1HPGD
SCHEMBL1636142 0.75 ATM (0.39) ATMMAPTSMN1; SMN2L3MBTL1HPGD

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