SCHEMBL11235133

SCHEMBL11235133

CC(Cc1ccc(CCCC(=O)O)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
RXRA P19793 4/20 0.41
NR1H2 P55055 3/20 0.41
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL8476620 0.96 MAPT (0.42) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL7603010 0.96 MAPT (0.42) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL9649858 0.84 BCHE (0.42) RXRARXRBRXRGNR1H4BCHE
SCHEMBL12050814 0.83 BCHE (0.53) ADRA1ASLC6A3BCHEACHEOPRK1
SCHEMBL11233737 0.81 HSD17B10 (0.54) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL20705409 0.81 ACACB (0.41) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL11245622 0.81 FAAH (0.33) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL14819227 0.80 HSD17B10 (0.54) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL11237800 0.80 HSD17B10 (0.46) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL7611219 0.78 ACACB (0.49) HSD17B10SMN1; SMN2HDAC3MAPK1ADRA1A

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