SCHEMBL9508113

SCHEMBL9508113

CCCCC/C=C/c1cccc(C(=O)NO)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC3 O15379 2/20 0.56
SMPD1 P17405 4/20 0.53
HDAC6 Q9UBN7 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.44

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
SCHEMBL9508117 1.00 HDAC1 (0.56) HDAC1HDAC3SMPD1HDAC6HDAC8
SCHEMBL20810480 0.85 SMN1; SMN2 (0.55) SMPD1SMN1; SMN2
SCHEMBL27557941 0.85 PPARA (0.40) HDAC1HDAC8SMN1; SMN2
SCHEMBL20810490 0.84 SMN1; SMN2 (0.52) HDAC1HDAC3SMN1; SMN2
SCHEMBL9504789 0.83 STS (0.51)
SCHEMBL9504784 0.83 STS (0.51)
SCHEMBL9506061 0.83 STS (0.51)
SCHEMBL9504363 0.83 TNNC1 (0.51) HDAC1HDAC3SMPD1HDAC6HDAC8
SCHEMBL9504799 0.83 TNNC1 (0.51) HDAC1HDAC3SMPD1HDAC6HDAC8
SCHEMBL9504807 0.83 TNNC1 (0.51) HDAC1HDAC3SMPD1HDAC6HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed