SCHEMBL7339592

SCHEMBL7339592

O=C(O)CCc1ccccc1OC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.47
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
EDNRB P24530 2/20 0.44
MAPK9 P45984 1/20 0.43
HPGD P15428 1/20 0.43
LTB4R Q15722 2/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
FFAR1 O14842 1/20 0.41

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) EDNRAKMT2AGAAEDNRBMAPK9
SCHEMBL7331355 0.89 EDNRA (0.51) EDNRAKMT2AGAAEDNRBHPGD
SCHEMBL7329159 0.89 EDNRA (0.53) EDNRAKMT2AGAAEDNRBMAPK9
SCHEMBL7329161 0.81 EDNRA (0.69) EDNRAEDNRB
SCHEMBL8791812 0.79 EDNRA (0.55) EDNRAKMT2AMAPK9HPGD
SCHEMBL8904044 0.75 EDNRA (0.55) EDNRAKMT2AEDNRBMAPK9HPGD
SCHEMBL7338441 0.74 EDNRA (0.60) EDNRAEDNRBMAPK9
SCHEMBL7336115 0.74 EDNRA (0.61) EDNRAKMT2AEDNRBMAPK9
SCHEMBL7339520 0.73 EDNRA (0.60) EDNRAKMT2AEDNRB
SCHEMBL7339368 0.72 EDNRA (0.61) EDNRAKMT2AEDNRBMAPK9

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