SCHEMBL6156495

SCHEMBL6156495

CC(C)(O)CCCNCc1cccc(OCc2ccc(CC(=O)O)c(CC(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.49
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CD274 Q9NZQ7 1/20 0.42
MAPK1 P28482 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL6156190 0.97 BCHE (0.48) BCHEKDM4ESMN1; SMN2CD274MAPK1
SCHEMBL6156545 0.90 BCHE (0.47) BCHEKDM4ESMN1; SMN2CD274MAPK1
SCHEMBL6157274 0.88 BCHE (0.47) BCHEKDM4ESMN1; SMN2CD274MAPK1
SCHEMBL6155828 0.86 BCHE (0.50) BCHEKDM4ESMN1; SMN2
SCHEMBL6155482 0.83 BCHE (0.49) BCHEKDM4ESMN1; SMN2
SCHEMBL6887560 0.81 BCHE (0.53) BCHEKDM4ESMN1; SMN2MAPK1SPHK2
SCHEMBL6879713 0.81 FFAR1 (0.45) ALDH1A1KMT2AFFAR1
SCHEMBL6886751 0.81 BCHE (0.54) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6156500 0.78 MTNR1A (0.42)
SCHEMBL7048973 0.78 BCHE (0.52) BCHEKDM4ESMN1; SMN2MAPK1SPHK2

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed