SCHEMBL28832897

SCHEMBL28832897

CC(C)(C)OC(Cc1cccc(C(=O)O)c1)NC=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.48
NR1H4 Q96RI1 1/20 0.46
SLC7A5 Q01650 1/20 0.45
ANPEP P15144 1/20 0.45
ENPEP Q07075 1/20 0.45
MEP1B Q16820 5/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7278890 0.84 ALDH1A1 (0.40) FOLH1NR1H4ANPEPENPEPALDH1A1
SCHEMBL6094753 0.77 FOLH1 (0.42) FOLH1ALDH1A1
SCHEMBL15955226 0.75 ANPEP (0.41) NR1H4ANPEPENPEPMEP1BALDH1A1
SCHEMBL15537367 0.74 EPHX1 (0.49) FOLH1ANPEPENPEPMEP1B
SCHEMBL557761 0.71 MEP1B (0.51) FOLH1NR1H4SLC7A5MEP1B
SCHEMBL3629077 0.71 SLC7A5 (0.52) FOLH1SLC7A5ANPEPENPEPMEP1B
SCHEMBL3992230 0.71 SLC7A5 (0.52) FOLH1SLC7A5ANPEPENPEPMEP1B
SCHEMBL27752467 0.70 FOLH1 (0.58) FOLH1ANPEPENPEPMEP1B
SCHEMBL2664262 0.70 MEP1B (0.60) FOLH1NR1H4MEP1B
SCHEMBL3528768 0.70 SLC7A5 (0.68) FOLH1SLC7A5ANPEPENPEP

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
CN-102884049-B Heterocyclic amides useful as ROCK inhibitors 阿玛克姆股份有限公司 2016-08-24 CN disclosed