SCHEMBL21149328

SCHEMBL21149328

N=C(CCCc1ccc(Br)cc1)OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 5/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC5 Q9UQL6 2/20 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
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 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) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201167 0.84 HDAC3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL21148548 0.84 LMNA (0.49) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201229 0.84 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201233 0.82 TAAR1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL21148532 0.81 ALOX5 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201204 0.80 HDAC1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201278 0.80 MAPT (0.58) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL21148799 0.79 TSHR (0.49) SMN1; SMN2NPC1
SCHEMBL22201127 0.79 MAPT (0.61) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1

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 2 patents. 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
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 WO disclosed