SCHEMBL6423154

SCHEMBL6423154

Cc1ccc(-c2cc(C(=O)C=Cc3ccc(C(=O)OC(=O)c4ccc(C=CC(O)c5cc(OCc6ccccc6)c(C(C)(C)C)c(-c6ccc(C)cc6)c5)cc4)cc3)cc(OCc3ccccc3)c2C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
AKR1C3 P42330 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TNFRSF1A P19438 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 2/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
APP P05067 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL6423156 0.94 TNFRSF1A (0.41) MAOBABCG2AKR1C3ALDH1A1TNFRSF1A
SCHEMBL6454589 0.90 AKR1C3 (0.36) MAOBABCG2AKR1C3ALDH1A1LMNA
SCHEMBL1406560 0.87 PTGER1 (0.44) AKR1C3HPGDKDM4E
SCHEMBL1406562 0.87 PTGER1 (0.44) AKR1C3HPGDKDM4E
SCHEMBL6423150 0.87 TNFRSF1A (0.39) MAOBABCG2AKR1C3ALDH1A1TNFRSF1A
SCHEMBL1406578 0.85 MAOB (0.48) MAOBABCG2AKR1C3ALDH1A1TNFRSF1A
SCHEMBL1406757 0.85 MAOB (0.48) MAOBABCG2AKR1C3ALDH1A1TNFRSF1A
SCHEMBL6454585 0.84 PTGER1 (0.37) MAOBABCG2AKR1C3TNFRSF1AKDM4E
SCHEMBL6454591 0.84 PTGER1 (0.37) MAOBABCG2AKR1C3TNFRSF1AKDM4E
SCHEMBL1406510 0.81 RXRA (0.46) HPGD

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 claimed
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 claimed