SCHEMBL7205380

SCHEMBL7205380

Cc1cccc(CCCC(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
FFAR1 O14842 1/20 0.47
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
OPRM1 P35372 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
SCHEMBL17743752 0.89 FFAR1 (0.52) SMN1; SMN2HDAC6FFAR1KMT2AMEN1
Adipic Acid SCHEMBL3282524 0.83 FFAR1 (0.49) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3884465 0.81 CYP4F2 (0.48) SMN1; SMN2HSD17B10KMT2AMEN1CYP1A2
SCHEMBL27965286 0.80 P2RX7 (0.44) SMN1; SMN2FFAR1KMT2AMEN1OPRM1
SCHEMBL19837458 0.80 ALDH1A1 (0.47) SMN1; SMN2FFAR1KMT2AMEN1OPRM1
SCHEMBL7437586 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7437968 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL15820943 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL4314841 0.78 KCNH2 (0.47) SMN1; SMN2KMT2AMEN1OPRM1OPRD1
SCHEMBL869497 0.78 KMT2A (0.53) SMN1; SMN2FFAR1KMT2AMEN1OPRM1

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-0882712-B1 PROCESS FOR PREPARING ACID SALTS OF GAMMA-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 2003-04-23 EP disclosed
US-6197961-B1 HYDROGENATION OF G-(PYRIDYL)BUTYRIC ACID SALT IN SOLVENT USING PALLADIUM, RHODIUM, OR RUTHENIUM CATALYST; HYDROLYSIS, DECARBOXYLATION KOEI CHEMICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0882712-A1 PROCESS FOR PREPARING ACID SALTS OF $g(g)-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed