SCHEMBL6155382

SCHEMBL6155382

CCC(O)(CC)CCCN(C(=O)c1ccccc1)c1cccc(OCc2ccc(C(C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.42
ALOX5 P09917 2/20 0.40
PTGES O14684 1/20 0.40
LTC4S Q16873 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 1/20 0.39
NR4A2 P43354 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
ADRA2C P18825 1/20 0.36
PTGIR P43119 1/20 0.36

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
SCHEMBL6156554 0.86 BCL2 (0.43) BCL2ALOX5
SCHEMBL6157286 0.84 BCL2 (0.41) BCL2ALOX5
SCHEMBL6155372 0.83 BCL2 (0.40) BCL2ALOX5PTGESLTC4SMAOB
SCHEMBL6155374 0.77 ADRA2C (0.36) BCL2PTGDR2ADRA2C
SCHEMBL6156502 0.77 BCL2 (0.44) BCL2ALOX5NR4A2NR4A1NR4A3
SCHEMBL6155868 0.75 CETP (0.46) BCL2KMT2A
SCHEMBL6156119 0.75 NR4A1 (0.40) BCL2ALOX5MAOBKMT2ANR4A2
SCHEMBL6886012 0.75 BCHE (0.51) KMT2A
SCHEMBL6878833 0.75 BCHE (0.50) KMT2A
SCHEMBL6155134 0.75 APP (0.43) BCL2

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