SCHEMBL6156502

SCHEMBL6156502

CN(CCCC(C)(C)O)c1cccc(OCc2ccc(C(C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.44
MTNR1A P48039 11/20 0.43
MTNR1B P49286 11/20 0.43
ADAMTS4 O75173 1/20 0.42
APP P05067 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
PPARA Q07869 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL6156207 0.97 MTNR1A (0.42) BCL2MTNR1AMTNR1BADAMTS4APP
SCHEMBL6156554 0.90 BCL2 (0.43) BCL2MTNR1AMTNR1BADAMTS4APP
SCHEMBL6155835 0.88 APP (0.44) BCL2MTNR1AMTNR1BAPPNR4A1
SCHEMBL6157286 0.87 BCL2 (0.41) BCL2MTNR1AMTNR1BADAMTS4APP
SCHEMBL6155493 0.85 APP (0.44) BCL2MTNR1AMTNR1BAPPNR4A1
SCHEMBL6156500 0.81 MTNR1A (0.42) BCL2MTNR1AMTNR1BAPPNR4A1
SCHEMBL6156119 0.80 NR4A1 (0.40) BCL2ADAMTS4APPNR4A1NR4A2
SCHEMBL6156203 0.78 MTNR1A (0.42) BCL2MTNR1AMTNR1BAPPNR4A1
SCHEMBL6155831 0.78 VDR (0.46) BCL2MTNR1AMTNR1BAPP
SCHEMBL6887560 0.78 BCHE (0.53)

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 3 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
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