SCHEMBL7723159

SCHEMBL7723159

NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)C(OC(=O)C(F)(F)F)c1nc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MMP2 P08253 1/20 0.34
HPGD P15428 1/20 0.34
LTA4H P09960 1/20 0.34
MMP1 P03956 1/20 0.33
FCER2 P06734 1/20 0.33
CTSC P53634 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7723157 0.86 HPGD (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7734127 0.82 CYP3A4 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7731113 0.82 PRSS8 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7734185 0.78 LNPEP (0.34) MMP2LTA4HCTSCLNPEP
SCHEMBL7733848 0.77 LMNA (0.38) HDAC1HDAC8LNPEP
SCHEMBL7732041 0.76 CTSL (0.39) MMP2MMP1LNPEP
Trifluoroacetic Acid SCHEMBL7860794 0.73 MMP1 (0.39) MMP1FCER2
SCHEMBL1245537 0.73 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL7734124 0.71 CYP1A2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL7731111 0.71 MMP2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed