SCHEMBL7339477

SCHEMBL7339477

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.59
EDNRB P24530 5/20 0.59
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
TAS1R3 Q7RTX0 5/20 0.47
TAS1R1 Q7RTX1 5/20 0.47
AGTR1 P30556 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 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
SCHEMBL7338441 0.90 EDNRA (0.60) EDNRAEDNRBMAPTALDH1A1TSHR
SCHEMBL7332942 0.88 EDNRA (0.52) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7338516 0.87 EDNRA (0.53) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7329622 0.86 EDNRA (0.57) EDNRAEDNRBMAPTALDH1A1TSHR
SCHEMBL7333299 0.84 EDNRA (0.51) EDNRAEDNRBMAPTTAS1R3TAS1R1
SCHEMBL7339368 0.84 EDNRA (0.61) EDNRAEDNRBMAPTALDH1A1TSHR
SCHEMBL7332725 0.83 EDNRA (0.58) EDNRAEDNRBALDH1A1TSHRTAS1R3
SCHEMBL8903642 0.83 EDNRA (0.60) EDNRAEDNRBMAPTALDH1A1TSHR
SCHEMBL8789773 0.83 EDNRA (0.58) EDNRAEDNRBMAPTALDH1A1TSHR
SCHEMBL8903647 0.83 EDNRA (0.60) EDNRAEDNRBMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed