SCHEMBL6087987

SCHEMBL6087987

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 2/20 0.46
NR4A2 P43354 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGER4 P35408 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL6089484 0.87 DPP4 (0.40) SLC26A4CCNB2CDK1CDK4CCNB1
SCHEMBL6090532 0.83 SLC26A4 (0.51) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6088674 0.83 SLC26A4 (0.63) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6090343 0.82 RXRA (0.54) SLC26A4NR4A2NPC1RAB9AKMT2A
SCHEMBL4450809 0.81 NR4A2 (0.58) SLC26A4NR4A2PTGER4MEN1KMT2A
SCHEMBL4451992 0.80 SLC26A4 (0.53) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6088483 0.79 SLC26A4 (0.52) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6091862 0.79 SLC26A4 (0.52) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6089332 0.79 NR4A2 (0.67) SLC26A4NR4A2NPC1RAB9APTGER4
SCHEMBL6087927 0.78 MRGPRX4 (0.53) SLC26A4NR4A2NPC1RAB9AMRGPRX4

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