SCHEMBL7900613

SCHEMBL7900613

Cn1cc(C(C(=O)O)c2ccc3c(c2)OCO3)c2ccc(C(=O)OCc3ccccc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.57
EDNRB P24530 17/20 0.57

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
SCHEMBL7910582 0.86 EDNRA (0.70) EDNRAEDNRB
SCHEMBL6582784 0.82 EDNRA (0.72) EDNRAEDNRB
SCHEMBL8608919 0.82 EDNRA (0.38) EDNRAEDNRB
SCHEMBL6581605 0.78 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7910670 0.77 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7685248 0.77 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6583479 0.75 EDNRA (0.68) EDNRAEDNRB
SCHEMBL6584300 0.73 EDNRA (0.48) EDNRAEDNRB
SCHEMBL7682178 0.72 EDNRA (0.55) EDNRAEDNRB
SCHEMBL8525563 0.71 ALDH1A1 (0.48) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211223-B1 BENZODIOXOL-5-YL-2-METHOXY-4-METHYLPHENYLSULFONYLAMINO-2-OXO ETHYL-1-METHYL-1HINDOLE-6-CARBOXYLIC ACID PFIZER INC. 2001-04-03 US disclosed
WO-1999020623-A1 INDOLE DERIVATIVE USEFUL AS ENDOTHELIN RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 1999-04-29 WO disclosed