SCHEMBL8632829

SCHEMBL8632829

Cc1ccc(CC(=O)O)c2c1N(C)c1cccc(CN(C=O)C(C)(C)C)c1S2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.31

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
Hydrochloric Acid SCHEMBL8629088 0.79 PTGS2 (0.34) SRC
SCHEMBL8635785 0.79 SRC (0.44) SRC
SCHEMBL7392981 0.68 KCNA5 (0.41)
SCHEMBL7398260 0.68 AKR1B1 (0.38)
SCHEMBL8627584 0.65 RXRA (0.33)
SCHEMBL9818558 0.61 LMNA (0.50)
SCHEMBL8635781 0.58 TLR2 (0.35)
SCHEMBL8285 0.56 AKR1B1 (0.61)
SCHEMBL2528595 0.56 AKR1B1 (0.61)
SCHEMBL29631318 0.56 AKR1B1 (0.61)

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
US-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed