SCHEMBL9847303

SCHEMBL9847303

COC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL12199030 0.87 MAPK1 (0.33) SIRT2
SCHEMBL14324686 0.87 MAPK1 (0.33) SIRT2
Hydrochloric Acid SCHEMBL8183614 0.86 ALDH1A1 (0.33)
SCHEMBL7327907 0.84 MMP13 (0.36)
SCHEMBL7328213 0.82 ABCB1 (0.47)
SCHEMBL10436050 0.81 CIT (0.41)
SCHEMBL9555112 0.79 PPARG (0.39)
SCHEMBL9555107 0.79 PPARG (0.39)
SCHEMBL12199033 0.78 ALDH1A1 (0.35)
SCHEMBL10276525 0.78 ALDH1A1 (0.35)

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
EP-0412595-A1 Antiherpetic agents MERCK & CO. INC. (US) 1991-02-13 EP disclosed