SCHEMBL11138178

SCHEMBL11138178

O=C(O)Nc1cc(O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
KCNMA1 Q12791 4/20 0.47
SNCA P37840 3/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
HDAC1 Q13547 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL19427493 0.84 MEN1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL23797950 0.84 MAPT (0.46) CA12CA1CA2CA7CA9
SCHEMBL4286209 0.81 TSHR (0.55) GAAMAPTSMN1; SMN2POLBHDAC1
SCHEMBL5697011 0.81 PEPD (0.52) CA12CA1CA2CA7CA9
SCHEMBL9799672 0.81 LMNA (0.61) CA12CA1CA2CA7CA9
SCHEMBL6397287 0.81 KCNMA1 (0.69) CA12CA1CA2CA9KCNMA1
SCHEMBL29716471 0.81 LMNA (0.61) CA12CA1CA2CA7CA9
SCHEMBL4281754 0.79 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL9170975 0.79 POLB (0.71) CA1CA2KCNMA1POLBMEN1
SCHEMBL22394778 0.79 MEN1 (0.51) KCNMA1GAAMAPTSMN1; SMN2POLB

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-4394298-A RUTHENIUM/III/ HEXACYANOCOBALTATE, SUPPORT PHILLIPS PETROLEUM COMPANY (US) 1983-07-19 US disclosed