SCHEMBL9544195

SCHEMBL9544195

CCCCSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.61
PPARG P37231 2/20 0.61
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
NCOR2 Q9Y618 2/20 0.60
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
SIRT2 Q8IXJ6 2/20 0.54
SIRT1 Q96EB6 2/20 0.54
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51

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
SCHEMBL9544644 0.95 PPARA (0.59) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9544551 0.95 PPARA (0.59) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL9544528 0.95 PPARA (0.59) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL7757498 0.91 PPARA (0.56) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL7757490 0.89 SIRT2 (0.55) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL7757493 0.88 PPARA (0.53) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL7708741 0.87 PPARA (0.53) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL5507111 0.87 PPARA (0.53) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL23927277 0.87 PPARA (0.73) PPARAPPARGHDAC3HDAC4HDAC1
SCHEMBL21957907 0.86 PPARA (0.65) PPARAPPARGHDAC3HDAC4HDAC1

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