SCHEMBL11760587

SCHEMBL11760587

Nc1ccc(-c2ccc(CCCC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC3 O15379 1/20 0.60
MAPK1 P28482 1/20 0.60
ADRA1A P35348 1/20 0.60
HDAC4 P56524 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
FFAR1 O14842 4/20 0.56
HSD17B10 Q99714 1/20 0.56
MAOB P27338 3/20 0.52
MAPT P10636 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL434792 0.94 SMN1; SMN2 (0.67) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL8339608 0.89 FFAR1 (0.71) FFAR1MAOBRXRARXRBRXRG
SCHEMBL224789 0.89 MAPT (0.66) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL4423281 0.87 MAPT (0.69) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL10987845 0.87 MAPT (0.69) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL1651413 0.85 FFAR1 (0.78) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL28105634 0.84 SMN1; SMN2 (0.55) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL6208836 0.84 SMN1; SMN2 (0.82) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL28011617 0.84 FFAR1 (0.56) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A
SCHEMBL18165310 0.83 HDAC2 (0.62) SMN1; SMN2HDAC2HDAC3MAPK1ADRA1A

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-4021479-A ANTIPHLOGISTICS AND ANTIPROLIFERATIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed