SCHEMBL6454585

SCHEMBL6454585

Cc1c(C(=O)/C=C/c2ccc(C(=O)O)cc2)cc(-c2ccccc2)c(C(C)(C)C)c1OCc1ccccc1.Cc1ccc(-c2cc(C(O)/C=C/c3ccc(C(=O)O)cc3)cc(OCc3ccccc3)c2C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
AKR1C3 P42330 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
MAOB P27338 2/20 0.36
APP P05067 2/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TNFRSF1A P19438 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNA3 P22001 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL6454591 1.00 PTGER1 (0.37) PTGER1AKR1C3CYSLTR2CYSLTR1MAOB
SCHEMBL6454589 0.94 AKR1C3 (0.36) AKR1C3CYSLTR2CYSLTR1MAOBAPP
SCHEMBL6423156 0.90 TNFRSF1A (0.41) PTGER1AKR1C3MAOBRXRARXRB
SCHEMBL1406560 0.90 PTGER1 (0.44) PTGER1AKR1C3RXRARXRBRXRG
SCHEMBL1406562 0.90 PTGER1 (0.44) PTGER1AKR1C3RXRARXRBRXRG
SCHEMBL6423154 0.84 MAOB (0.40) AKR1C3MAOBAPPKDM4ETNFRSF1A
SCHEMBL1406510 0.83 RXRA (0.46) PTGER1RXRARXRBRXRGKCNA3
SCHEMBL1406882 0.83 RXRA (0.46) PTGER1RXRARXRBRXRGKCNA3
SCHEMBL1406578 0.81 MAOB (0.48) PTGER1AKR1C3MAOBRXRARXRB
SCHEMBL1406757 0.81 MAOB (0.48) PTGER1AKR1C3MAOBRXRARXRB

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