SCHEMBL10654071

SCHEMBL10654071

CN[C@H](C(=O)OO)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL7274381 0.82 CA14 (0.58) CA12CA14SMN1; SMN2TSHRCA7
SCHEMBL6966533 0.82 CA14 (0.58) CA12CA14SMN1; SMN2TSHRCA7
SCHEMBL13204470 0.82 CA14 (0.58) CA12CA14SMN1; SMN2TSHRCA7
Hydrochloric Acid SCHEMBL1761465 0.80 CA14 (0.56) CA12CA14SMN1; SMN2TSHRCA7
Hydrochloric Acid SCHEMBL29398016 0.80 CA14 (0.56) CA12CA14SMN1; SMN2TSHRCA7
Hydrochloric Acid SCHEMBL17559741 0.80 CA14 (0.56) CA12CA14SMN1; SMN2TSHRCA7
SCHEMBL23542746 0.78 CA12 (0.39) CA12CA14SMN1; SMN2TSHRCA7
SCHEMBL15074331 0.78 TSHR (0.40) CA12CA14SMN1; SMN2TSHRCA7
SCHEMBL805156 0.78 TSHR (0.40) CA12CA14SMN1; SMN2TSHRCA7
SCHEMBL15074332 0.78 TSHR (0.40) CA12CA14SMN1; SMN2TSHRCA7

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
US-4780416-A BACTERICIDES, ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-25 US disclosed
US-4360458-A PEPTIDE ANTIBIOTICS, ANTIBIOTIC BBM-928 BRISTOL-MYERS COMPANY (US) 1982-11-23 US disclosed