SCHEMBL2436482

SCHEMBL2436482

CC(C)(C)C(=O)c1ccsc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.51
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
DHODH Q02127 1/20 0.44
AXL P30530 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PTPN2 P17706 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NR4A1 P22736 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL4654151 0.81 KDM4E (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL69159 0.79 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3621051 0.78 DHODH (0.51) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL5553175 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31622301 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL29161457 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29228925 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2186719 0.77 KDM4E (0.76) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3979989 0.74 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL25332544 0.73 KDM4E (0.45) KDM4EALDH1A1GLAGAAHPGD

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
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed