SCHEMBL6090965

SCHEMBL6090965

Cc1cccc(COc2cccc(OCc3cccc(Br)c3)c2)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.60
MAOB P27338 11/20 0.58
MAOA P21397 3/20 0.53
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
PARP15 Q460N3 3/20 0.50
PARP10 Q53GL7 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP14 Q460N5 1/20 0.50
PTGER1 P34995 1/20 0.47

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
SCHEMBL4450809 0.89 NR4A2 (0.58) MRGPRX4MAOBALDH1A1SMN1; SMN2
SCHEMBL6089138 0.88 MAOB (0.59) MRGPRX4MAOBMAOAFFAR1FFAR4
SCHEMBL6091367 0.85 FFAR1 (0.53) MRGPRX4FFAR1FFAR4
SCHEMBL6088674 0.83 SLC26A4 (0.63) MAOBFFAR1NPC1RAB9APTGER1
SCHEMBL6087927 0.83 MRGPRX4 (0.53) MRGPRX4MAOBNPC1RAB9A
SCHEMBL6092100 0.82 RXRA (0.51) MRGPRX4MAOBSMN1; SMN2
SCHEMBL6087956 0.81 PTGER4 (0.55) MRGPRX4MAOBFFAR1FFAR4
SCHEMBL6088680 0.81 NR4A2 (0.62) MRGPRX4MAOBMAOANPC1RAB9A
SCHEMBL6090532 0.81 SLC26A4 (0.51) MRGPRX4MAOBFFAR1NPC1RAB9A
SCHEMBL4451992 0.80 SLC26A4 (0.53) MRGPRX4MAOBNPC1RAB9A

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-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed