SCHEMBL11176641

SCHEMBL11176641

O=C(O)N1CC=C2CCCC=C21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.35
GRM2 Q14416 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL23089825 0.69 ALDH1A1 (0.42) ACMSDHDAC3HDAC1HDAC2
Bicarbonate SCHEMBL10441915 0.60 ACMSD (0.49) ACMSDHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL10803110 0.60
Bicarbonate SCHEMBL2907611 0.60 ACMSD (0.49) ACMSDHDAC3HDAC4HDAC1HDAC7
Bicarbonate SCHEMBL10962051 0.60 ACMSD (0.49) ACMSDHDAC3HDAC4HDAC1HDAC7
Acrylic Acid SCHEMBL3057787 0.60 LMNA (0.43) ACMSDGRM2HDAC3HDAC4HDAC1
SCHEMBL28336519 0.60 ACMSD (0.45) ACMSDGRM2HDAC3HDAC1HDAC2
SCHEMBL25427300 0.59 POLB (0.34)
Methacrylic Acid SCHEMBL1155692 0.59 ACMSD (0.41) ACMSDGRM2HDAC3HDAC4HDAC1
SCHEMBL15048839 0.59 TYMP (0.40) ACMSDGRM2HDAC3HDAC4HDAC1

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-4385180-A 10,10a-Dihydro-1H-thiozino[4,3-a,]-indole-1,4(3H)-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-24 US disclosed