SCHEMBL9812401

SCHEMBL9812401

CC(C)(C)c1cc(NC(=O)CCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
ALDH1A1 P00352 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 1/20 0.54
CYP1A1 P04798 1/20 0.51
KMT2A Q03164 3/20 0.48
VCAM1 P19320 1/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
BCHE P06276 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL10598165 0.87 ALDH1A1 (0.60) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL9575165 0.86 GAA (0.70) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL8944534 0.86 L3MBTL1 (0.60) GAAALDH1A1TDP1KMT2AVCAM1
SCHEMBL29282569 0.85 ALDH1A1 (0.62) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL1410855 0.85 GAA (0.62) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL11702602 0.84 GAA (0.72) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL11652025 0.84 GAA (0.60) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL11798744 0.83 ALDH1A1 (0.58) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL3483031 0.81 GAA (0.66) GAAALDH1A1TDP1LMNAKMT2A
SCHEMBL9595268 0.81 GAA (0.57) GAAALDH1A1TDP1LMNAKMT2A

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
EP-0434080-A1 Derivatives of N-hals-substituted amic acid hydrazides ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-06-26 EP disclosed