SCHEMBL6090532

SCHEMBL6090532

Cc1cc(C)c(COc2cccc(OCc3cccc(C)c3C(=O)O)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 2/20 0.51
NR4A2 P43354 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.46
PTGER4 P35408 2/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL6088483 0.89 SLC26A4 (0.52) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL6088674 0.89 SLC26A4 (0.63) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL6091862 0.86 SLC26A4 (0.52) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL6088781 0.86 MAOB (0.44) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL4450809 0.86 NR4A2 (0.58) SLC26A4NR4A2MAOBPTGER4MRGPRX4
SCHEMBL4451992 0.86 SLC26A4 (0.53) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL6089332 0.84 NR4A2 (0.67) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL6087987 0.83 SLC26A4 (0.46) SLC26A4NR4A2NPC1RAB9AMAOB
SCHEMBL6092100 0.83 RXRA (0.51) SLC26A4NR4A2MAOBPTGER4MRGPRX4
SCHEMBL6090535 0.83 NPC1 (0.55) SLC26A4NR4A2NPC1RAB9APTGER4

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