SCHEMBL8530684

SCHEMBL8530684

COC(=O)CCCn1sccc1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.58
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
G6PD P11413 2/20 0.57
ALOX15 P16050 2/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP3A4 P08684 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9129825 0.90 KAT2B (0.56) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9128844 0.81 KAT2B (0.53) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9318814 0.77 ALDH1A1 (0.68) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9308034 0.76 ALDH1A1 (0.54) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL926392 0.75 ALDH1A1 (0.86) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9236479 0.75 ALDH1A1 (0.62) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9132439 0.75 ALDH1A1 (0.57) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9135138 0.74 ALDH1A1 (0.56) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL926600 0.74 ALDH1A1 (0.96) KAT2BALDH1A1TSHRHPGDHSD17B10
SCHEMBL9134252 0.74 ALDH1A1 (0.51) KAT2BALDH1A1TSHRHPGDHSD17B10

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