SCHEMBL5758342

SCHEMBL5758342

CCOC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.62
ACACB O00763 1/20 0.54
TP53 P04637 1/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
MME P08473 3/20 0.51
ACE P12821 3/20 0.51
ACE2 Q9BYF1 3/20 0.51
CPA1 P15085 2/20 0.51
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
PAM P19021 1/20 0.50
MMP8 P22894 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6438662 1.00 TACR1 (0.62) TACR1ACACBTP53HDAC1HDAC6
SCHEMBL6438660 1.00 TACR1 (0.62) TACR1ACACBTP53HDAC1HDAC6
SCHEMBL242242 0.93 TACR1 (0.71) TACR1TP53CTSSCTSKPAM
SCHEMBL242241 0.93 TACR1 (0.71) TACR1TP53CTSSCTSKPAM
Acetic Acid SCHEMBL27445733 0.91 TACR1 (0.69) TACR1TP53CTSSCTSKPAM
SCHEMBL18733473 0.88 HDAC1 (0.64) TACR1ACACBHDAC1HDAC6
SCHEMBL16523532 0.88 HDAC1 (0.64) TACR1ACACBHDAC1HDAC6
SCHEMBL25669539 0.88 TACR1 (0.58) TACR1ACACBTP53MMEACE
SCHEMBL11759813 0.87 TACR1 (0.64) TACR1TP53HDAC1CTSSCTSK
SCHEMBL11758374 0.87 TACR1 (0.64) TACR1TP53HDAC1CTSSCTSK

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-1208092-B1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO LTD (KR) 2006-06-21 EP disclosed