SCHEMBL9544832

SCHEMBL9544832

CCCCCCCCCCCCCCCCCCSC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
CTSB P07858 5/20 0.53
CTSL P07711 5/20 0.53
CTSS P25774 3/20 0.53
CAPN1 P07384 3/20 0.52
CAPN2 P17655 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
SCHEMBL9544145 0.96 CTSK (0.57) CTSKHDAC3HDAC4HDAC1HDAC7
SCHEMBL9544253 0.88 CTSK (0.47) CTSKCTSBCTSLCTSSCAPN1
SCHEMBL9544528 0.85 PPARA (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9544551 0.85 PPARA (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9544644 0.85 PPARA (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7304926 0.84 CTSL (0.61) CTSKCTSBCTSLCTSSCAPN1
SCHEMBL7304916 0.84 CTSL (0.61) CTSKCTSBCTSLCTSSCAPN1
SCHEMBL5191078 0.84 CTSK (0.64) CTSKCTSBCTSLCTSSCAPN1
SCHEMBL8823879 0.82 CTSL (0.66) CTSKCTSBCTSLCTSSCAPN1
SCHEMBL9544186 0.82 HDAC3 (0.56) 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
WO-1993021211-A1 AMIDES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATORIOS MENARINI S.A. (ES) 1993-10-28 WO disclosed