SCHEMBL7342222

SCHEMBL7342222

CCCc1cc(C=O)cc(CCC)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.34
PPARG P37231 4/20 0.34
KDM4E B2RXH2 1/20 0.31
DHFR P00374 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1515852 0.87 ALDH3A1 (0.39) KDM4E
SCHEMBL7332445 0.85 PPARA (0.32) PPARAPPARG
SCHEMBL9139332 0.78 DHFR (0.36) PPARAPPARGDHFR
SCHEMBL662680 0.77 MAPT (0.35) PPARAPPARGDHFR
SCHEMBL7338915 0.76 PPARA (0.34) PPARAPPARGDHFR
SCHEMBL3679228 0.76 ALDH1A1 (0.35) CA12CA1CA9
SCHEMBL19306468 0.76 SRC (0.46) CA12CA1CA9
SCHEMBL9131385 0.75 PPARA (0.49) PPARAPPARGKDM4ECA12CA1
SCHEMBL1620299 0.73 ALDH1A1 (0.44) KDM4E
SCHEMBL8907783 0.72 CA12 (0.42) KDM4ECA12CA1CA9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
EP-0774965-A4 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO INC (US) 1997-10-29 EP disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
EP-0774965-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO. INC. (US) 1997-05-28 EP disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed