SCHEMBL31069720

SCHEMBL31069720

COC(=O)C(C)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.38
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
THRB P10828 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL6651376 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL6651370 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL4633092 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL2152131 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL15472458 0.78 TSHR (0.46) CA14CA12ALDH1A1TSHRCA1
SCHEMBL14038946 0.78 TSHR (0.46) CA14CA12ALDH1A1TSHRCA1
SCHEMBL20399902 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL15472457 0.78 TSHR (0.46) CA14CA12ALDH1A1TSHRCA1
SCHEMBL25144910 0.77 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL2664131 0.77

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
US-12064239-B2 Device and methods for detection and monitoring of tuberculosis TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-08-20 US disclosed