SCHEMBL5328441

SCHEMBL5328441

COC(=O)C(C(=O)OC)[C@@H](C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
CA14 Q9ULX7 3/20 0.39
CA12 O43570 2/20 0.39
KMT2A Q03164 1/20 0.34
MME P08473 2/20 0.33
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5328444 1.00 SMN1; SMN2 (0.61) SMN1; SMN2CA14CA12KMT2AMME
SCHEMBL857610 0.85 SMN1; SMN2 (0.75) SMN1; SMN2CA14CA12KMT2ACA7
SCHEMBL857611 0.85 SMN1; SMN2 (0.75) SMN1; SMN2CA14CA12KMT2ACA7
SCHEMBL17124702 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12KMT2AMME
SCHEMBL15015776 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12KMT2AMME
SCHEMBL6446523 0.80 SMN1; SMN2 (0.61) SMN1; SMN2CA14CA12KMT2AMME
SCHEMBL5512536 0.76 SMN1; SMN2 (0.60) SMN1; SMN2CA14CA12KMT2ACA7
SCHEMBL561667 0.76 SMN1; SMN2 (0.60) SMN1; SMN2CA14CA12KMT2ACA7
SCHEMBL11118030 0.76 SMN1; SMN2 (0.88) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL188811 0.76 SMN1; SMN2 (0.70) SMN1; SMN2CA14CA12KMT2ACA7

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
WO-2007011910-A2 CHIRAL AMINE-CATALYZED ASYMMETRIC ADDITION OF CARBON-CENTERED NUCLEOPHILES TO IMINES TRUSTEES OF BOSTON UNIVERSITY (US) 2007-01-25 WO disclosed