SCHEMBL9812935

SCHEMBL9812935

O=C(O)COc1cccc(CCNC(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
MAPK1 P28482 1/20 0.60
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
RAB9A P51151 7/20 0.55

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
SCHEMBL9100881 0.86 MEN1 (0.66) KMT2AMEN1CA1CA2CA7
SCHEMBL8358410 0.85 MEN1 (0.68) KMT2AMEN1HDAC2HDAC8HDAC6
SCHEMBL5681767 0.84 RAB9A (0.73) KMT2AMEN1CA1CA2CA7
SCHEMBL9329695 0.82 HTT (0.54) SMN1; SMN2MAPTPPARGPPARAPTGDR2
SCHEMBL3578191 0.82 KMT2A (0.56) KMT2AMEN1CA1CA2CA7
SCHEMBL3577619 0.81 TRPV1 (0.69) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL10160158 0.79 KDM4E (0.66) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL2769715 0.79 PPARA (0.74) MAPK1PPARGPPARAPTGDR2
SCHEMBL13477505 0.78 PPARA (0.58) MAPK1PPARGPPARAPTGDR2
SCHEMBL5178206 0.78 RAB9A (0.69) KMT2AMEN1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223593-B1 PHENOXYALKYLCARBOXYLIC ACIDS AND ESTERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-08-07 EP disclosed
EP-0223593-A2 Phenoxyalkylcarboxylic acids and esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed