SCHEMBL6089138

SCHEMBL6089138

COC(=O)c1c(C)cccc1COc1cccc(OCc2cccc(Br)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.59
MRGPRX4 Q96LA9 2/20 0.51
MAOA P21397 4/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP15 Q460N3 3/20 0.50
PARP10 Q53GL7 2/20 0.48
PARP14 Q460N5 1/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL6090965 0.88 MRGPRX4 (0.60) MAOBMRGPRX4MAOANPC1ALDH1A1
SCHEMBL6088473 0.88 HIF1A (0.57) MAOBMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL6089804 0.85 FFAR1 (0.50) MAOBMRGPRX4FFAR1FFAR4
SCHEMBL6088959 0.84 MAOB (0.48) MAOBMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL6088329 0.84 MAOB (0.52) MAOBMRGPRX4NPC1RAB9AFFAR1
SCHEMBL6088416 0.84 ADAM17 (0.47) MRGPRX4NPC1
SCHEMBL6087974 0.82 HIF1A (0.58) MAOBMAOANPC1RAB9A
SCHEMBL6088781 0.82 MAOB (0.44) MAOBMRGPRX4NPC1RAB9A
SCHEMBL5724594 0.81 HIF1A (0.53) MAOBMRGPRX4NPC1ALDH1A1RAB9A
SCHEMBL6088371 0.81 RXRA (0.46) MAOBMRGPRX4MAOANPC1RAB9A

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
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed