SCHEMBL2436483

SCHEMBL2436483

CC(C)(C)c1csc(C(=O)O)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 2/20 0.33
DAO P14920 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL11388194 0.74 GLRA3 (0.41) LMNAGLRA3GLRBL3MBTL1POLB
SCHEMBL4730281 0.70 GLRA3 (0.38) LMNAGLRA3GLRBL3MBTL1POLB
SCHEMBL4002783 0.66 LMNA (0.55) LMNAGLRA3GLRBL3MBTL1ALDH1A1
SCHEMBL6748799 0.66
SCHEMBL16014567 0.64 ALOX15 (0.47) L3MBTL1POLBTDP1ALDH1A1KDM4E
SCHEMBL19580224 0.64 GPR35 (0.46) LMNAGLRA3GLRBL3MBTL1POLB
SCHEMBL3470368 0.64 GPR35 (0.42) L3MBTL1POLBTDP1KDM4EDAO
SCHEMBL13714042 0.63 POLB (0.43) L3MBTL1POLBTDP1ALDH1A1KDM4E
SCHEMBL31588020 0.61 GLRA3 (0.43) GLRA3GLRBPOLBTDP1ALDH1A1
SCHEMBL13208593 0.61 KDM4E (0.46) LMNAGLRA3GLRBL3MBTL1POLB

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