SCHEMBL7329159

SCHEMBL7329159

CCCc1ccccc1OC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.53
EDNRB P24530 4/20 0.53
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.46
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
KMT2A Q03164 1/20 0.44
MAPK9 P45984 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7333600 0.90 EDNRA (0.47) EDNRAEDNRBHPGDGAAKMT2A
SCHEMBL7339592 0.89 EDNRA (0.47) EDNRAEDNRBHPGDGAAKMT2A
SCHEMBL7331355 0.87 EDNRA (0.51) EDNRAEDNRBHPGDGAAKMT2A
SCHEMBL8904044 0.86 EDNRA (0.55) EDNRAEDNRBHPGDPPARGPPARA
SCHEMBL7336115 0.85 EDNRA (0.61) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL7338441 0.85 EDNRA (0.60) EDNRAEDNRBPPARGPPARAMAPK9
SCHEMBL7339520 0.84 EDNRA (0.60) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL7339368 0.83 EDNRA (0.61) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL8903642 0.82 EDNRA (0.60) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL7336213 0.81 EDNRA (0.57) EDNRAEDNRBGAAKMT2AMAPT

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 12 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
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