SCHEMBL9689519

SCHEMBL9689519

O=C(O)CCc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.71
KLKB1 P03952 1/20 0.67
CTSB P07858 1/20 0.67
MMP9 P14780 1/20 0.67
DNMT1 P26358 1/20 0.67
DNMT3B Q9UBC3 1/20 0.67
DNMT3L Q9UJW3 1/20 0.67
DNMT3A Q9Y6K1 1/20 0.67
EGFR P00533 1/20 0.66
KAT8 Q9H7Z6 2/20 0.61
HNF4A P41235 1/20 0.59
MCL1 Q07820 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
PTGS2 P35354 2/20 0.52
CA12 O43570 1/20 0.52
ALOX5 P09917 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL10902984 0.89 KAT8 (0.67) LCKKLKB1CTSBMMP9DNMT1
SCHEMBL10950033 0.88 LCK (0.89) LCKKLKB1CTSBMMP9DNMT1
SCHEMBL30790801 0.86 LCK (0.85) LCKKLKB1CTSBMMP9DNMT1
SCHEMBL9080306 0.85 FFAR1 (0.53) LCKKLKB1CTSBMMP9DNMT1
SCHEMBL9159296 0.83 LCK (0.63) LCKKLKB1CTSBMMP9DNMT1
SCHEMBL20746782 0.83 LCK (0.50) LCKKLKB1CTSBMMP9DNMT1
SCHEMBL5264579 0.82 MEN1 (0.68) LCKKLKB1CTSBMMP9DNMT1
Dihydrocaffeic Acid SCHEMBL245530 0.82 IAPP (0.65) LCKALOX5FFAR1KDM4EALDH1A1
Dihydrocaffeic Acid SCHEMBL7058919 0.82 IAPP (0.65) LCKALOX5FFAR1KDM4EALDH1A1
Dihydrocaffeic Acid SCHEMBL29351390 0.82 IAPP (0.65) LCKALOX5FFAR1KDM4EALDH1A1

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