SCHEMBL9714133

SCHEMBL9714133

CCN[C@H](C(N)=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HPGDS O60760 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G5 P39877 1/20 0.31
ENPEP Q07075 2/20 0.30
HTT P42858 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL19708909 1.00 ITGB3 (0.33) ITGB3ITGB1ITGAVITGA5CNR2
Carbamic Acid SCHEMBL27983163 0.96 ITGB3 (0.35) ITGB3ITGB1ITGAVITGA5CNR2
SCHEMBL24218813 0.86 ENPEP (0.35) CNR2CNR1SMN1; SMN2HPGDSENPEP
SCHEMBL21917418 0.84 EPHX1 (0.31) EPHX1CA1CA2
SCHEMBL21843952 0.84 EPHX1 (0.31) EPHX1CA1CA2
SCHEMBL21034776 0.84 EPHX1 (0.31) EPHX1CA1CA2
SCHEMBL16852138 0.82 SMN1; SMN2 (0.37) CNR2CNR1SMN1; SMN2EPHX1CA1
SCHEMBL30700134 0.82 ALDH1A1 (0.41) CA1CA2ENPEPHTT
SCHEMBL14012364 0.81 HPGDS (0.31) ITGB3ITGB1ITGAVITGA5HPGDS
SCHEMBL26439512 0.80 HTT (0.35) SMN1; SMN2CA1HTTCA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874515-B Amino acid-BSH targeted hybrid compound, and preparation method and application thereof 重庆高硼生物科技有限公司 2025-03-14 CN disclosed
CN-116874515-A Amino acid-BSH targeted hybrid compound, and preparation method and application thereof 重庆高硼生物科技有限公司 2023-10-13 CN disclosed
WO-2019016566-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2019-01-24 WO disclosed
EP-2675823-B1 METHOD FOR PREPARING PEPTIDES BY ASSEMBLING MULTIPLE PEPTIDE FRAGMENTS CENTRE NAT RECH SCIENT (FR) 2015-04-08 EP disclosed
EP-2493909-B1 METHOD FOR NATIVE LIGATION OF POLYPEPTIDES CENTRE NAT RECH SCIENT (FR) 2014-05-21 EP disclosed
WO-2011051906-A1 METHOD FOR NATIVE LIGATION OF POLYPEPTIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-05-05 WO disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed