SCHEMBL22201127

SCHEMBL22201127

N=C(CCCCCc1ccccc1)OC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
HDAC1 Q13547 4/20 0.54
ALOX5 P09917 3/20 0.54
HDAC2 Q92769 2/20 0.54
CES1 P23141 4/20 0.53
FAAH O00519 3/20 0.53
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL22201278 0.98 MAPT (0.58) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL21149844 0.93 HDAC1 (0.58) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL10623470 0.79 MAPT (0.69) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL7655514 0.79 MAPT (0.69) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL11578613 0.79 MAPT (0.69) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL22201229 0.79 PLAAT3 (0.47) HDAC1HDAC2HDAC3MAPK1ADRA1A
SCHEMBL21149328 0.79 PLAAT3 (0.47) HDAC1HDAC2HDAC3MAPK1ADRA1A
SCHEMBL21148548 0.79 LMNA (0.49) HDAC1HDAC2HDAC3MAPK1ADRA1A
SCHEMBL22201167 0.79 HDAC3 (0.47) HDAC1HDAC2HDAC3MAPK1ADRA1A
SCHEMBL22201222 0.77 CYP1A2 (0.66) HDAC1HDAC2HDAC3HDAC8HDAC6

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