SCHEMBL8446642

SCHEMBL8446642

CN(C)c1ccc(CSCC(NC(=O)CCCCCS)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 16/20 0.65
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL8450293 0.96 ACE (0.67) ACE
SCHEMBL8446594 0.91 ACE (0.70) ACE
SCHEMBL20734772 0.81 ACE (0.69) ACE
SCHEMBL8447211 0.80 HDAC1 (0.52) ACEHDAC3HDAC4HDAC1HDAC7
SCHEMBL10004544 0.79 ACE (1.00) ACE
SCHEMBL8447630 0.79 ACE (0.69) ACE
SCHEMBL2108008 0.79 ACE (1.00) ACE
SCHEMBL4565424 0.79 ACE (1.00) ACE
SCHEMBL6576191 0.79 ACE (1.00) ACE
SCHEMBL9426451 0.77 FAAH (0.60) ACE

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-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed