SCHEMBL6887560

SCHEMBL6887560

CC(C)(O)CCCNCc1cccc(OCc2ccc(C(C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.53
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7048973 0.97 BCHE (0.52) BCHEKDM4ESMN1; SMN2SPHK2SPHK1
SCHEMBL6886012 0.90 BCHE (0.51) BCHEKDM4ESMN1; SMN2SPHK2SPHK1
SCHEMBL6886751 0.88 BCHE (0.54) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6878833 0.87 BCHE (0.50) BCHEKDM4ESMN1; SMN2SPHK2SPHK1
SCHEMBL6885228 0.85 BCHE (0.53) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6156495 0.81 BCHE (0.49) BCHEKDM4ESMN1; SMN2SPHK2SPHK1
SCHEMBL6156190 0.78 BCHE (0.48) BCHEKDM4ESMN1; SMN2SPHK2SPHK1
SCHEMBL6155828 0.78 BCHE (0.50) BCHEKDM4ESMN1; SMN2
SCHEMBL6156502 0.78 BCL2 (0.44)
SCHEMBL6883442 0.78 BCHE (0.52) BCHEKDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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