SCHEMBL8090100

SCHEMBL8090100

NCCC[C@H](NC(=O)C1(C(=O)NCCNS(=O)(=O)c2ccccc2)CCCC1)OBO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
TPSAB1 Q15661 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TBXA2R P21731 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP2 P08253 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PPARG P37231 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MMP9 P14780 1/20 0.33
TBXAS1 P24557 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
SCHEMBL8095467 0.84 CYP3A4 (0.38) ALDH1A1KDM4EMMP9CYP1A2CYP3A4
SCHEMBL8098091 0.83 MMP8 (0.43) ALDH1A1CYP2C9
SCHEMBL8095188 0.82 MMP8 (0.39) SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8095269 0.81 MMP1 (0.38) TPSAB1MMP2CA1CA2MMP9
SCHEMBL8091670 0.81 MMP8 (0.38)
SCHEMBL8091565 0.81 CPB2 (0.38) SMN1; SMN2
SCHEMBL8090156 0.80 MMP8 (0.39) SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7436527 0.80 F2 (0.38) USP2TPSAB1ALDH1A1TBXA2RKDM4E
SCHEMBL8098172 0.79 MME (0.31)
SCHEMBL8090134 0.79 KDM4E (0.36) KDM4ESMN1; SMN2CA1CA2CYP1A2

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed