SCHEMBL22201229

SCHEMBL22201229

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
FFAR1 O14842 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL21149844 0.85 HDAC1 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4TDP1
SCHEMBL21148532 0.84 ALOX5 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL21148548 0.84 LMNA (0.49) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201167 0.84 HDAC3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4TDP1
SCHEMBL21149328 0.84 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4TDP1
SCHEMBL22201204 0.80 HDAC1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201278 0.80 MAPT (0.58) PLAAT3PLAAT5PLAAT2PLAAT4TDP1
SCHEMBL21148799 0.79 TSHR (0.49) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL22201127 0.79 MAPT (0.61) PLAAT3PLAAT5PLAAT2PLAAT4HDAC3
SCHEMBL764952 0.77 SMN1; SMN2 (0.67) PLAAT3PLAAT5PLAAT2PLAAT4TDP1

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed