SCHEMBL21990967

SCHEMBL21990967

COC(O)CCN1CCCOCC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PIK3CD O00329 1/20 0.33
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL21988583 0.80 PIK3CD (0.47) PIK3CDPER2
SCHEMBL21988582 0.78 PIK3CD (0.41) PIK3CDPER2
SCHEMBL17662297 0.77 GLA (0.41)
SCHEMBL21990966 0.75 PIK3CD (0.46) PIK3CDPER2CRY2
SCHEMBL17662298 0.72 GLA (0.44)
SCHEMBL6888871 0.70 SMN1; SMN2 (0.41) PRMT5WDR77PIK3CDPER2CRY2
SCHEMBL17662300 0.69 GLA (0.45) PRMT5WDR77PER2
SCHEMBL12409668 0.67 PDK2 (0.40) PRMT5WDR77PER2CRY2
SCHEMBL4875078 0.67 ALDH1A1 (0.30)
SCHEMBL6204103 0.66 USP2 (0.45)

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-3201205-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed