SCHEMBL7753395

SCHEMBL7753395

CC(C)(C)C(=O)OCOC(=O)[C@H](C(N)NC(=O)CCCOc1ccc(C(=N)N)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
PRSS1 P07477 3/20 0.35
TMPRSS2 O15393 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
PKM P14618 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL7753371 0.80 ITGB3 (0.49) F2PLAUITGB3ITGA2B
SCHEMBL27464157 0.80 ITGB3 (0.49) F2PLAUITGB3ITGA2B
SCHEMBL27462386 0.67 F2 (0.43) HPGDPRSS1TMPRSS2LMNASMN1; SMN2
SCHEMBL27547990 0.66 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL7752535 0.66 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL27464574 0.66 F2 (0.45) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL27547987 0.66 MEN1 (0.43) HPGDPRSS1TMPRSS2LMNAMEN1
SCHEMBL27450345 0.65 F2 (0.48) PRSS1TMPRSS2F2ITGB3ITGA2B
SCHEMBL27547991 0.65 CYP1A2 (0.42) ALDH1A1HPGDGAAPRSS1TMPRSS2
SCHEMBL14426997 0.64 ITGB3 (0.65) PRSS1F10ITGB3ITGA2B

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
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed