SCHEMBL9534645

SCHEMBL9534645

CC(O)(CC(N)=O)C(C#N)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MCL1 Q07820 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL9534650 0.87 MCL1 (0.32) MCL1
SCHEMBL9534655 0.78 HMGCR (0.40) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5598279 0.72 ALDH1A1 (0.46) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL5598275 0.72 ALDH1A1 (0.46) KDM4EHMGCRCHRM1TBXA2RADRA1A
SCHEMBL1336381 0.71 DPP4 (0.36)
SCHEMBL30794442 0.69 PIK3CD (0.39) KDM4EHMGCRCHRM1TBXA2RADRA1A
Bicarbonate SCHEMBL11385004 0.69 DPP4 (0.35)
SCHEMBL8508470 0.68 DPP4 (0.33) CHRM1ADRA1A
SCHEMBL11120681 0.67 ALDH1A1 (0.33)
SCHEMBL19391257 0.67 DPP4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178106-B1 ENZYMATIC PROCESS NOVO NORDISK A/S (DK) 1993-03-31 EP disclosed
EP-0178106-A2 Enzymatic process NOVO NORDISK A/S (DK) 1986-04-16 EP disclosed