SCHEMBL6454589

SCHEMBL6454589

Cc1ccc(-c2cc(C(O)C=Cc3ccc(C(=O)OC(=O)c4ccc(C=CC(=O)c5cc(-c6ccccc6)c(C(C)(C)C)c(OCc6ccccc6)c5C)cc4)cc3)cc(OCc3ccccc3)c2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.36
MAOB P27338 2/20 0.35
APP P05067 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
KCNA3 P22001 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL6454591 0.94 PTGER1 (0.37) AKR1C3MAOBAPPABCG2KCNA3
SCHEMBL6454585 0.94 PTGER1 (0.37) AKR1C3MAOBAPPABCG2KCNA3
SCHEMBL6423154 0.90 MAOB (0.40) AKR1C3MAOBAPPABCG2PDE4A
SCHEMBL6423156 0.84 TNFRSF1A (0.41) AKR1C3MAOBABCG2ALDH1A1LMNA
SCHEMBL1406562 0.84 PTGER1 (0.44) AKR1C3KCNA3KDM4EHPGD
SCHEMBL1406560 0.84 PTGER1 (0.44) AKR1C3KCNA3KDM4EHPGD
SCHEMBL1406882 0.78 RXRA (0.46) KCNA3HPGD
SCHEMBL1406510 0.78 RXRA (0.46) KCNA3HPGD
SCHEMBL6423150 0.78 TNFRSF1A (0.39) AKR1C3MAOBABCG2ALDH1A1LMNA
SCHEMBL1406578 0.75 MAOB (0.48) AKR1C3MAOBABCG2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed