SCHEMBL6155372

SCHEMBL6155372

CCC(O)(CC)CCCN(C(=O)c1ccccc1)c1cccc(OCc2ccc(CC(=O)O)c(CC(=O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.40
MAOB P27338 4/20 0.39
PTGIR P43119 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
LTC4S Q16873 1/20 0.37
VDR P11473 1/20 0.37
KMT2A Q03164 1/20 0.36
NR4A2 P43354 3/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
CFD P00746 1/20 0.36
ADRA2C P18825 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6156550 0.87 BCL2 (0.41) BCL2CFD
SCHEMBL6157281 0.84 MTNR1A (0.39) BCL2CFD
SCHEMBL6155382 0.83 BCL2 (0.42) BCL2MAOBPTGIRPTGESALOX5
SCHEMBL6156500 0.77 MTNR1A (0.42) BCL2NR4A2NR4A1NR4A3CFD
SCHEMBL6156545 0.76 BCHE (0.47) KMT2A
SCHEMBL6156109 0.76 CFD (0.39) MAOBNR4A2NR4A1NR4A3CFD
SCHEMBL6157274 0.75 BCHE (0.47) KMT2A
SCHEMBL6156203 0.75 MTNR1A (0.42) BCL2NR4A2NR4A1NR4A3CFD
SCHEMBL6155846 0.74 VDR (0.46) BCL2MAOBVDRKMT2AMAOA
SCHEMBL6155129 0.73 VDR (0.48) BCL2ALOX5VDR

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