SCHEMBL8775304

SCHEMBL8775304

CCOC(=O)C(CC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
TDP1 Q9NUW8 2/20 0.49
MMP8 P22894 2/20 0.48
MDM2 Q00987 1/20 0.47
PIN1 Q13526 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 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
SCHEMBL973673 0.89 KMT2A (0.69) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3494511 0.89 KMT2A (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL4666968 0.89 MEN1 (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL23731908 0.87 KMT2A (0.54) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL5450997 0.86 MEN1 (0.56) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL11733617 0.86 SMN1; SMN2 (0.47) KMT2AMEN1NPC1TDP1ALDH1A1
SCHEMBL3589983 0.84 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3607036 0.84 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL12003491 0.83 MEN1 (0.53) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL13513361 0.83 MEN1 (0.53) KMT2AMEN1NPC1TDP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496555-B1 Corrosion-inhibiting coating compositions CIBA GEIGY AG (CH) 1997-11-19 EP disclosed
US-5277709-A Film forming binder and corrosion inhibitor CIBA-GEIGY CORPORATION (US) 1994-01-11 US disclosed
EP-0496555-A2 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1992-07-29 EP disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed