SCHEMBL9865771

SCHEMBL9865771

CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HDAC1 Q13547 4/20 0.52
NAMPT P43490 2/20 0.50
NTSR1 P30989 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.48
SYK P43405 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL9865877 0.89 MEN1 (0.50) MEN1KMT2AHDAC1NAMPTNTSR1
SCHEMBL3955009 0.86 SYK (0.57) MEN1KMT2ALMNAMAPTSYK
SCHEMBL7302006 0.85 SYK (0.46) MEN1KMT2ARAB9AMAPTSYK
SCHEMBL7289218 0.84 HDAC1 (0.56) MEN1KMT2AHDAC1NAMPTNTSR1
SCHEMBL12913502 0.83 PRSS1 (0.64) MEN1KMT2AHDAC2RAB9AMAPT
SCHEMBL6288470 0.83 SYK (0.57) MEN1KMT2AHDAC1NAMPTNTSR1
SCHEMBL14485285 0.82 SYK (0.62) MEN1KMT2AHDAC1NAMPTNTSR1
SCHEMBL31258268 0.82 SYK (0.53) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL7308592 0.82 SYK (0.53) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL27441071 0.81 PRSS1 (0.69) MEN1KMT2ARAB9ALMNAMAPT

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
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed