SCHEMBL6154561

SCHEMBL6154561

C/C(=C\CCCCC(C)(C)O)c1cccc(OCc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
MAOB P27338 10/20 0.43
MAOA P21397 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL6154817 1.00 NR4A2 (0.47) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6154568 1.00 NR4A2 (0.47) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6155671 0.91 NR4A2 (0.43) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6156475 0.91 NR4A2 (0.43) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6155675 0.91 NR4A2 (0.43) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6887463 0.89 MRGPRX4 (0.42) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6885829 0.89 MRGPRX4 (0.42) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6885832 0.89 MRGPRX4 (0.42) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6156351 0.85 NR4A2 (0.45) NR4A2NR4A1NR4A3MAOBMAOA
SCHEMBL6154877 0.85 NR4A2 (0.45) NR4A2NR4A1NR4A3MAOBMAOA

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