SCHEMBL6089484

SCHEMBL6089484

CCOC(=O)c1c(C)cccc1COc1cccc(OCc2cc(C)c(C(C)C)cc2C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPK1 P28482 4/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL6087987 0.87 SLC26A4 (0.46) L3MBTL1TDP1MAPK1CCNB2CDK1
SCHEMBL6088897 0.79 GABRA1 (0.52) L3MBTL1MAPK1TSHRMAPTHSD17B10
SCHEMBL6091207 0.77 SMPD1 (0.50) MAPTFFAR1MAOB
SCHEMBL6088508 0.76 CYSLTR1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL15614369 0.74 CA12 (0.56) DPP4CA12CA1CA2CA7
SCHEMBL6087578 0.74 MRGPRX4 (0.48) MAPTMAOB
SCHEMBL6088781 0.73 MAOB (0.44) TDP1TSHRMAPTLMNACCNB2
SCHEMBL6089878 0.73 CYSLTR2 (0.44) L3MBTL1TDP1MAPK1TSHRMAPT
SCHEMBL6088329 0.73 MAOB (0.52) TDP1TSHRMAPTLMNACCNB2
SCHEMBL6088371 0.73 RXRA (0.46) L3MBTL1MAPTLMNAMAOB

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 5 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
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN 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