SCHEMBL11235575

SCHEMBL11235575

CC(=O)NC(C)Cc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.58
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL7610862 0.95 ACACB (0.57) ACACBHSD17B10
SCHEMBL7610856 0.95 ACACB (0.57) ACACBHSD17B10
SCHEMBL11480710 0.92 ACACB (0.62) ACACBLMNA
SCHEMBL3391414 0.84 HSD17B10 (0.54) HSD17B10HDAC3MAPK1ADRA1AHDAC4
SCHEMBL13311943 0.84 HSD17B10 (0.54) HSD17B10HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11235453 0.84 HSD17B10 (0.54) HSD17B10HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7608981 0.84 ACACB (0.58) ACACB
SCHEMBL7608980 0.84 ACACB (0.58) ACACB
Hydrochloric Acid SCHEMBL3487407 0.83 HSD17B10 (0.53) HSD17B10HDAC3MAPK1ADRA1AHDAC4
SCHEMBL8655673 0.83 HSD17B10 (0.47) ACACBHSD17B10LMNAHDAC3MAPK1

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-4329281-A AMPHETAMINE, METHAMPHETAMINE HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed