SCHEMBL6564968

SCHEMBL6564968

CCC(O)(CC)CC/C=C(\C)c1cc(Br)cs1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6564975 1.00 CES2 (0.37) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL6564973 1.00 CES2 (0.37) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL7609689 0.85 CES2 (0.39) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL6562776 0.84 CES2 (0.36) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL6562772 0.84 CES2 (0.36) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL6562767 0.84 CES2 (0.36) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL6566343 0.79
SCHEMBL6566340 0.79
SCHEMBL6566345 0.79
SCHEMBL6566256 0.79 CES2 (0.30) CES2CES1ALDH1A1LMNAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed