SCHEMBL9689104

SCHEMBL9689104

O=C(O)c1cc(CCCBr)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.67
LCK P06239 2/20 0.67
KLKB1 P03952 1/20 0.62
CTSB P07858 1/20 0.62
MMP9 P14780 1/20 0.62
DNMT1 P26358 1/20 0.62
DNMT3B Q9UBC3 1/20 0.62
DNMT3L Q9UJW3 1/20 0.62
DNMT3A Q9Y6K1 1/20 0.62
EGFR P00533 1/20 0.58
HNF4A P41235 2/20 0.56
MCL1 Q07820 2/20 0.50
PPARA Q07869 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PTGS2 P35354 2/20 0.48
CA12 O43570 1/20 0.48
ALOX5 P09917 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL28444886 0.89 LCK (0.71) KAT8LCKKLKB1CTSBMMP9
SCHEMBL10950033 0.85 LCK (0.89) KAT8LCKKLKB1CTSBMMP9
SCHEMBL30790801 0.83 LCK (0.85) KAT8LCKKLKB1CTSBMMP9
SCHEMBL10902984 0.83 KAT8 (0.67) KAT8LCKKLKB1CTSBMMP9
SCHEMBL30748696 0.83 KAT8 (0.88) KAT8LCKKLKB1CTSBMMP9
SCHEMBL2532041 0.83 KAT8 (0.88) KAT8LCKKLKB1CTSBMMP9
SCHEMBL15821603 0.82 KLKB1 (0.71) KAT8LCKKLKB1CTSBMMP9
SCHEMBL23092123 0.81 KAT8 (0.45) KAT8LCKKLKB1CTSBMMP9
SCHEMBL29687321 0.81 KAT8 (0.45) KAT8LCKKLKB1CTSBMMP9
SCHEMBL1079224 0.81 KAT8 (0.97) KAT8LCKKLKB1CTSBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089388-A Conjugates of a salicyclic acid derivative and a polypeptide or enzyme for sensitive immunoassays to monitor serum aspirin concentration SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed