SCHEMBL6887463

SCHEMBL6887463

COC(=O)c1ccc(COc2cccc(/C(C)=C\CCCCC(C)(C)O)c2)cc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAOB P27338 12/20 0.40
SMPD1 P17405 1/20 0.40
MAOA P21397 3/20 0.40

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
SCHEMBL6885832 1.00 MRGPRX4 (0.42) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6885829 1.00 MRGPRX4 (0.42) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6881292 0.91 MRGPRX4 (0.41) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6881326 0.91 MRGPRX4 (0.41) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6881296 0.91 MRGPRX4 (0.41) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6154568 0.89 NR4A2 (0.47) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6154817 0.89 NR4A2 (0.47) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6154561 0.89 NR4A2 (0.47) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6881445 0.86 MRGPRX4 (0.43) MRGPRX4NR4A1NR4A2NR4A3MAOB
SCHEMBL6888607 0.86 MRGPRX4 (0.43) MRGPRX4NR4A1NR4A2NR4A3MAOB

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
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