SCHEMBL8533834

SCHEMBL8533834

COC(=O)CCCn1sc(Cl)cc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 12/20 1.00
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8529337 0.81 KAT2B (0.68) KAT2B
SCHEMBL9565202 0.77 KAT2B (0.79) KAT2BALDH1A1TSHRMAPT
SCHEMBL21886869 0.77 KAT2B (0.72) KAT2BALDH1A1TSHR
SCHEMBL9255667 0.76 KAT2B (0.69) KAT2BALDH1A1
SCHEMBL8530684 0.74 KAT2B (0.58) KAT2BALDH1A1TSHRMAPT
SCHEMBL11193788 0.73 KAT2B (0.97) KAT2BALDH1A1TSHR
SCHEMBL8062252 0.73 KAT2B (0.97) KAT2BALDH1A1TSHR
SCHEMBL9565234 0.73 KAT2B (0.97) KAT2BALDH1A1TSHR
SCHEMBL21814437 0.73 KAT2B (0.65) KAT2BALDH1A1TSHRMAPTL3MBTL1
SCHEMBL9308434 0.72 KAT2B (0.70) KAT2BALDH1A1TSHRMAPT

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-0592127-B1 Immunoassay for isothiazolones ROHM & HAAS (US) 1998-04-15 EP disclosed
US-5554542-A Immunoassay for isothiazolones ROHM AND HAAS COMPANY (US) 1996-09-10 US disclosed
EP-0592127-A1 Immunoassay for isothiazolones ROHM AND HAAS COMPANY (US) 1994-04-13 EP disclosed