SCHEMBL7162202

SCHEMBL7162202

CC(C)(C)[N+]1(C(=O)[O-])CCCC[C@@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4914142 0.95 MEN1 (0.43) MEN1TSHRKMT2A
SCHEMBL4921819 0.95 MEN1 (0.43) MEN1TSHRKMT2A
SCHEMBL15436151 0.86 MEN1 (0.32) MEN1TSHRKMT2A
SCHEMBL4971039 0.75 CHRNB2 (0.41) MEN1TSHRKMT2A
SCHEMBL2640238 0.75 TERT (0.31) MEN1TSHRKMT2A
SCHEMBL2640272 0.75 TERT (0.31) MEN1TSHRKMT2A
SCHEMBL4768225 0.75 MEN1 (0.30) MEN1TSHRKMT2A
SCHEMBL4969704 0.71
SCHEMBL1692646 0.69 MEN1 (0.34) MEN1TSHRKMT2A
SCHEMBL1692886 0.69 MEN1 (0.34) MEN1TSHRKMT2A

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-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed