SCHEMBL6157274

SCHEMBL6157274

CCC(O)(CC)CCCCNCc1cccc(OCc2ccc(CC(=O)O)c(CC(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.47
KDM4E B2RXH2 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.42
P4HB P07237 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
POLB P06746 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
CHRM2 P08172 1/20 0.40
GAA P10253 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
SCHEMBL6156545 0.97 BCHE (0.47) BCHEKDM4ESMN1; SMN2MAPK1P4HB
SCHEMBL6156190 0.91 BCHE (0.48) BCHEKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL6156495 0.88 BCHE (0.49) BCHEKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL6156099 0.87 VDR (0.48) BCHEKDM4ESMN1; SMN2CHRM2
SCHEMBL6155122 0.84 VDR (0.48) BCHEKDM4ESMN1; SMN2CHRM2
SCHEMBL6878833 0.82 BCHE (0.50) BCHEKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL6881441 0.82 BCHE (0.51) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6157281 0.80 MTNR1A (0.39)
SCHEMBL6886012 0.79 BCHE (0.51) BCHEKDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL6883442 0.79 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 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