SCHEMBL9732258

SCHEMBL9732258

CCOC(=O)[C@H]1C[C@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
P2RX3 P56373 1/20 0.35
FKBP1A P62942 2/20 0.34
MCL1 Q07820 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL7809194 0.91 MMP2 (0.35) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL8609251 0.89 MMP2 (0.40) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL8607697 0.89 MMP2 (0.40) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL489252 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL7805563 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL5691732 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL5058842 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL699280 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL1154972 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4
SCHEMBL2252585 0.86 MMP2 (0.48) MMP2ANPEPCYP1A2POLBCYP3A4

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-5120859-A Anticoagulants GENENTECH, INC. (US) 1992-06-09 US disclosed