SCHEMBL7333299

SCHEMBL7333299

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.51
EDNRB P24530 7/20 0.51
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
AGTR1 P30556 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL7338516 0.85 EDNRA (0.53) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7332942 0.84 EDNRA (0.52) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7339477 0.84 EDNRA (0.59) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7330171 0.82 EDNRA (0.77) EDNRAEDNRBAGTR1
SCHEMBL7332725 0.82 EDNRA (0.58) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7338422 0.81 EDNRA (0.60) EDNRAEDNRBAGTR1USP2MAPT
SCHEMBL7329622 0.79 EDNRA (0.57) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL7331707 0.78 EDNRA (0.48) EDNRAEDNRBTAS1R3TAS1R1AGTR1
SCHEMBL8903655 0.78 EDNRA (0.61) EDNRAEDNRBAGTR1USP2MAPT
SCHEMBL7339641 0.77 EDNRA (0.55) EDNRAEDNRBAGTR1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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