SCHEMBL22201167

SCHEMBL22201167

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
PLAAT3 P53816 3/20 0.43
PLAAT5 Q96KN8 3/20 0.43
PLAAT2 Q9NWW9 3/20 0.43
PLAAT4 Q9UL19 3/20 0.43
FFAR1 O14842 1/20 0.41
LTB4R Q15722 2/20 0.41
MAPK1 P28482 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) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21149328 0.84 PLAAT3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22201229 0.84 PLAAT3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21148548 0.84 LMNA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21148532 0.81 ALOX5 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201204 0.80 HDAC1 (0.48) HDAC1HDAC8PPARAPPARGPLAAT3
SCHEMBL22201278 0.80 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21148799 0.79 TSHR (0.49) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL22201127 0.79 MAPT (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1570239 0.77 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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