SCHEMBL8644172

SCHEMBL8644172

CCC(=O)C(NC(=O)c1ccc(C(N)=S)cc1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.37
SCN2A Q99250 2/20 0.37
RAB9A P51151 2/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 3/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8644180 0.96 POLB (0.39) RAB9AHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL8645969 0.88 F10 (0.40)
Hydrochloric Acid SCHEMBL8644799 0.87 F10 (0.40)
SCHEMBL8642814 0.86 GAA (0.39) SCN5ASCN2ARAB9AHDAC1HDAC2
SCHEMBL8642824 0.86 GAA (0.39) SCN5ASCN2ARAB9AHDAC1HDAC2
SCHEMBL8650390 0.86 HDAC3 (0.41) RAB9AHDAC3HDAC1HDAC6ALDH1A1
Trifluoroacetic Acid SCHEMBL8643480 0.84 KLK1 (0.43) HDAC3HDAC1HDAC2NCOR2
SCHEMBL8642834 0.83 RAB9A (0.40) SCN5ASCN2ARAB9AHDAC1HDAC2
SCHEMBL8647713 0.82 POLB (0.35) RAB9AHDAC3HDAC1ALDH1A1POLB
SCHEMBL8650285 0.82 PPARA (0.47) RAB9AALDH1A1MAPTNPC1MEN1

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-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed