SCHEMBL28196771

SCHEMBL28196771

CC(C)(C)CC1CN(C(=O)O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20399786 0.77 OPRK1 (0.34)
SCHEMBL20399751 0.77 OPRK1 (0.34)
SCHEMBL4484269 0.77 CHRM2 (0.31)
SCHEMBL17599559 0.76 POLB (0.32) POLB
SCHEMBL3169586 0.74 FAAH (0.42)
SCHEMBL15352654 0.72 TACR3 (0.43)
SCHEMBL9052963 0.72 TACR3 (0.43)
SCHEMBL21081462 0.72 LMNA (0.35) LMNAMAPT
SCHEMBL22634130 0.72 LMNA (0.35) LMNAMAPT
SCHEMBL504706 0.72 LMNA (0.35) LMNAMAPT

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-107828751-A Transaminase mutant and its application 凯莱英生命科学技术(天津)有限公司 2018-03-23 CN disclosed