SCHEMBL8649166

SCHEMBL8649166

COC(=O)C(Oc1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.55
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL6314113 0.88 KMT2A (0.45) EDNRAKMT2AALDH1A1MAPTMEN1
SCHEMBL6315909 0.80 EDNRA (0.57) EDNRA
SCHEMBL795156 0.79 KMT2A (0.38) EDNRAKMT2AALDH1A1MAPTMEN1
SCHEMBL6313692 0.78 EDNRB (0.48) EDNRA
SCHEMBL22404286 0.71 EDNRA (0.56) EDNRAKMT2AALDH1A1MEN1TAS1R3
SCHEMBL805660 0.70 EDNRA (0.55) EDNRAKMT2AALDH1A1MEN1TAS1R3
SCHEMBL1746047 0.70 PTGS2 (0.56) EDNRAKMT2AALDH1A1MEN1TAS1R3
SCHEMBL803787 0.70 EDNRA (0.56) EDNRAKMT2AMEN1TAS1R3TAS1R1
SCHEMBL4996294 0.69 EDNRA (0.54) EDNRAKMT2AALDH1A1MEN1TAS1R3
SCHEMBL805662 0.69 EDNRA (0.54) EDNRAKMT2AALDH1A1MEN1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821256-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 US disclosed