SCHEMBL7683290

SCHEMBL7683290

CCC(=O)c1ccccc1N1C(C(=O)OC)=C(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6542044 0.90 EDNRA (0.56) EDNRAMEN1KMT2AMAPTALDH1A1
SCHEMBL6541202 0.87 EDNRA (0.51) EDNRAMEN1KMT2AGABRA1GABRB2
SCHEMBL6542540 0.87 EDNRA (0.49) EDNRAMEN1KMT2AMAPTALDH1A1
SCHEMBL6542570 0.86 EDNRA (0.51) EDNRAMEN1KMT2AMAPTALDH1A1
SCHEMBL6542491 0.85 EDNRA (0.51) EDNRAMEN1KMT2AGABRA1GABRB2
SCHEMBL6541268 0.85 EDNRA (0.48) EDNRAMEN1KMT2AMAPTALDH1A1
SCHEMBL7252735 0.84 EDNRA (0.50) EDNRAMAPTALDH1A1L3MBTL1TP53
SCHEMBL6542548 0.84 EDNRA (0.47) EDNRAMEN1KMT2AMAPTALDH1A1
SCHEMBL6542591 0.83 EDNRA (0.66) EDNRAMEN1KMT2AMAPTALDH1A1
SCHEMBL6542667 0.83 EDNRA (0.47) EDNRAMEN1KMT2AMAPTALDH1A1

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-6440962-B2 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY 2002-08-27 US disclosed