SCHEMBL7336115

SCHEMBL7336115

CCCc1cc(CO)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.61
EDNRB P24530 8/20 0.61
AGTR1 P30556 2/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
KMT2A Q03164 2/20 0.41
PDE5A O76074 1/20 0.40
MAPK9 P45984 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7339520 0.93 EDNRA (0.60) EDNRAEDNRBAGTR1PPARGPPARA
SCHEMBL7332942 0.90 EDNRA (0.52) EDNRAEDNRBAGTR1KMT2AMEN1
SCHEMBL7338441 0.88 EDNRA (0.60) EDNRAEDNRBAGTR1PPARGPPARA
SCHEMBL5494726 0.87 EDNRA (0.60) EDNRAEDNRBPPARGPPARA
SCHEMBL8904044 0.86 EDNRA (0.55) EDNRAEDNRBAGTR1PPARGPPARA
SCHEMBL7333563 0.85 EDNRA (0.57) EDNRAEDNRBAGTR1PPARGPPARA
SCHEMBL7329159 0.85 EDNRA (0.53) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL7339368 0.84 EDNRA (0.61) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL8903642 0.83 EDNRA (0.60) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL9058136 0.82 EDNRB (0.56) EDNRAEDNRBPPARGPPARA

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 claimed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO claimed
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
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US 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