SCHEMBL7407237

SCHEMBL7407237

O=C1CC(=S)[C@@H](C(=O)O)N1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAD P27708 1/20 0.35
ITGB3 P05106 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGAV P06756 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGAL P20701 1/20 0.33
IDUA P35475 1/20 0.32
ITGA4 P13612 1/20 0.30
GRIA2 P42262 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
SCHEMBL8563469 0.77 ITGB3 (0.35) CADITGB3ITGB1ITGAVITGB2
SCHEMBL4224698 0.77 ITGB3 (0.35) CADITGB3ITGB1ITGAVITGB2
SCHEMBL5498179 0.74 ITGB3 (0.33) CADITGB3ITGB1ITGAVITGB2
SCHEMBL19231319 0.70
SCHEMBL11552214 0.67 ITGB1 (0.38) CADITGB3ITGB1ITGAVITGB2
SCHEMBL737201 0.67 ITGB3 (0.34) CADITGB3ITGB1ITGAVEGLN1
SCHEMBL5793745 0.66
SCHEMBL5793746 0.66
SCHEMBL7629922 0.66 TSHR (0.53)
SCHEMBL20713957 0.65

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
JP-61201790-A None JP disclosed
US-5244884-A Tripeptide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-09-14 US disclosed
JP-S61201790-A PRODUCTION OF PROLINE SHOWA DENKO KK 1986-09-06 JP disclosed