SCHEMBL9519482

SCHEMBL9519482

CS(=O)(=O)O[C@@H]1C[C@@H](COCC(N)=O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB3 P05106 4/20 0.39
ITGB1 P05556 4/20 0.39
ITGAV P06756 4/20 0.39
ITGA5 P08648 4/20 0.39
ITGA2B P08514 2/20 0.39
ITGB5 P18084 2/20 0.39
HTR2C P28335 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36

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
SCHEMBL9520991 1.00 POLB (0.40) POLBCYP2C19SMN1; SMN2ITGB3ITGB1
SCHEMBL9519952 0.92 POLB (0.41) POLBSMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL9795055 0.91 POLB (0.41) POLBITGB3ITGB1ITGAVITGA5
SCHEMBL9519206 0.90 ITGB1 (0.40) POLBCYP2C19SMN1; SMN2ITGB3ITGB1
SCHEMBL10713467 0.89 POLB (0.41) POLBCYP2C19ITGB3ITGB1ITGAV
SCHEMBL9519289 0.89 POLB (0.41) POLBCYP2C19ITGB3ITGB1ITGAV
SCHEMBL9519756 0.88 POLB (0.40) POLBCYP2C19SMN1; SMN2ITGB3ITGB1
SCHEMBL9369429 0.88 POLB (0.44) POLBSMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL9369434 0.88 POLB (0.44) POLBSMN1; SMN2ITGB3ITGB1ITGAV
SCHEMBL9519220 0.87 ALDH1A1 (0.37) MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 EP disclosed
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed