SCHEMBL11564833

SCHEMBL11564833

O=C(O)c1cccc(N2C(=O)CCC2=O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 1/20 0.42
MYC P01106 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1C3 P42330 1/20 0.40
CDC25B P30305 1/20 0.39
NR4A1 P22736 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL11563899 0.93 GAA (0.47) ALDH1A1ALOX15CA12CA1CA9
SCHEMBL6512006 0.87 AKR1C3 (0.51) ALDH1A1ALOX15CA12CA1CA9
SCHEMBL9262225 0.84 GAA (0.55) ALDH1A1ALOX15CA12CA1CA9
SCHEMBL15636976 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15CA12CA1CA9
SCHEMBL317656 0.81 TTR (0.44) ALDH1A1ALOX15CA12CA1CA9
SCHEMBL30142643 0.81 KMT2A (0.38) CA12CA1CA9MAPK1MYC
SCHEMBL10935998 0.81 TLR9 (0.56) ALDH1A1ALOX15MYCL3MBTL1POLB
SCHEMBL11565052 0.79 ALDH1A1 (0.36) ALDH1A1ALOX15MYCL3MBTL1GAA
SCHEMBL11245166 0.78 MYC (0.47) ALDH1A1ALOX15MYCL3MBTL1GAA
SCHEMBL20837977 0.78 CA12 (0.42) ALDH1A1CA12CA1CA9MAPK1

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
US-4160081-A Imidyl- and isoimidyl-phthalic anhydrides, process for their manufacture and their use for curing epoxide resins CIBA-GEIGY CORPORATION (US) 1979-07-03 US disclosed
US-4131613-A CURING AGENTS FOR EPOXIDE RESINS CIBA-GEIGY CORPORATION (US) 1978-12-26 US disclosed
US-3979393-A Imidyl- and isoimidyl-phthalic anhydrides, process for their manufacture and their use for curing epoxide resins CIBA-GEIGY CORPORATION (US) 1976-09-07 US disclosed