SCHEMBL27924944

SCHEMBL27924944

Cc1ncc(CCCC(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
HSD17B10 Q99714 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
TBXAS1 P24557 8/20 0.45

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
SCHEMBL5296032 0.93 MAPT (0.55) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7468895 0.88 P4HTM (0.55) TBXAS1P4HTMFFAR1LMNAL3MBTL1
SCHEMBL2434548 0.85 KDM4E (0.38) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7209273 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30227184 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL13851659 0.76 TBXAS1 (0.56) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL13965559 0.76 L3MBTL1 (0.49) FFAR1TSHRL3MBTL1
SCHEMBL7017455 0.75 GABRP (0.52) SMN1; SMN2HSD17B10MAPTP4HTMKDM4E
Cyclopropane SCHEMBL11659767 0.75 EGLN1 (0.48) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL31639573 0.74 MAPT (0.55) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4

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
CN-103347864-A For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions GLAXO GROUP LTD 2013-10-09 CN disclosed