SCHEMBL7430848

SCHEMBL7430848

CC(=O)SCc1ccccc1CCC(=O)Nc1ccc(N(C)C)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KCNB1 Q14721 3/20 0.41
KCNB2 Q92953 1/20 0.41
MCL1 Q07820 2/20 0.40
BCL2A1 Q16548 1/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MAPT P10636 2/20 0.38

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
SCHEMBL7438002 0.86 KDM4C (0.50) GAAALDH1A1ALOX15KDM4EMCL1
SCHEMBL7432272 0.85 ALDH1A1 (0.46) GAAALDH1A1KDM4EMCL1BCL2A1
SCHEMBL7430294 0.85 GAA (0.46) GAAALDH1A1ALOX15KDM4EKCNB1
SCHEMBL7435750 0.84 KMT2A (0.47) GAAALDH1A1ALOX15KDM4EMCL1
SCHEMBL7428540 0.83 HDAC3 (0.41) GAAALDH1A1MCL1BCL2A1HDAC3
SCHEMBL7431831 0.80 KDM4E (0.60) GAAALDH1A1KDM4EMAPTNPC1
SCHEMBL7435487 0.80 HDAC3 (0.49) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7432797 0.79 SMN1; SMN2 (0.51) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7439282 0.78 KMT2A (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL7433961 0.76 ABCC1 (0.47) GAAALDH1A1KDM4EMAPTNPC1

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed