SCHEMBL7905124

SCHEMBL7905124

CC(=O)N1CC(=S)C[C@H]1C(=O)O.N[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 6/20 0.40
HTR6 P50406 1/20 0.39
HDAC4 P56524 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 1/20 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
SCHEMBL7896707 0.88 GAA (0.45) HDAC1ALDH1A1LMNAGAAALPI
Phenylalanine SCHEMBL7906184 0.85 SLC7A5 (0.52) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL7904116 0.83 SLC7A5 (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7906150 0.82 SLC7A5 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7906163 0.80 L3MBTL1 (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL19234913 0.80 HDAC1 (0.62) HDAC1MEN1KMT2AALDH1A1LMNA
SCHEMBL20715878 0.80 HDAC1 (0.62) HDAC1MEN1KMT2AALDH1A1LMNA
SCHEMBL5078465 0.80 HDAC1 (0.62) HDAC1MEN1KMT2AALDH1A1LMNA
SCHEMBL7896693 0.79 ITGB1 (0.47)
SCHEMBL6934867 0.79 LTA4H (0.39) HDAC8

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
US-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed