SCHEMBL6157286

SCHEMBL6157286

CCC(O)(CC)CCCCN(C)c1cccc(OCc2ccc(C(C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.41
MTNR1A P48039 11/20 0.40
MTNR1B P49286 11/20 0.40
ADAMTS4 O75173 1/20 0.40
APP P05067 1/20 0.39
PPARA Q07869 1/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ALOX5 P09917 1/20 0.37

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 0.97 BCL2 (0.43) BCL2MTNR1AMTNR1BADAMTS4APP
SCHEMBL6156207 0.90 MTNR1A (0.42) BCL2MTNR1AMTNR1BADAMTS4APP
SCHEMBL6156106 0.88 APP (0.42) BCL2MTNR1AMTNR1BAPP
SCHEMBL6156502 0.87 BCL2 (0.44) BCL2MTNR1AMTNR1BADAMTS4APP
SCHEMBL6155134 0.85 APP (0.43) BCL2MTNR1AMTNR1BAPP
SCHEMBL6155382 0.84 BCL2 (0.42) BCL2ALOX5
SCHEMBL6157281 0.82 MTNR1A (0.39) BCL2MTNR1AMTNR1BAPPPPARA
SCHEMBL6156102 0.80 VDR (0.48) MTNR1AMTNR1BAPPALOX5
SCHEMBL6156550 0.79 BCL2 (0.41) BCL2MTNR1AMTNR1BAPPPPARA
SCHEMBL6878833 0.79 BCHE (0.50)

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 1 patent. 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