SCHEMBL6156545

SCHEMBL6156545

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.47
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
MAPK1 P28482 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
P4HB P07237 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL6157274 0.97 BCHE (0.47) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL6156495 0.90 BCHE (0.49) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL6156190 0.88 BCHE (0.48) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL6155122 0.86 VDR (0.48) BCHEKDM4ESMN1; SMN2
SCHEMBL6156099 0.83 VDR (0.48) BCHEKDM4ESMN1; SMN2
SCHEMBL6886012 0.82 BCHE (0.51) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL6883442 0.81 BCHE (0.52) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6156550 0.79 BCL2 (0.41)
SCHEMBL6878833 0.79 BCHE (0.50) BCHEKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL6157281 0.79 MTNR1A (0.39)

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 2 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