SCHEMBL3823945

SCHEMBL3823945

CCCCC(CCC(=O)O)(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 2/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HIF1A Q16665 1/20 0.41
KEAP1 Q14145 1/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL29286131 0.94 EPHX2 (0.44) HPGDHDAC11MAPTRXFP1EPHX2
SCHEMBL1122046 0.94 HDAC11 (0.46) HPGDSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL8747296 0.91 MAPT (0.49) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11128523 0.88 MAPT (0.45) HPGDSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL1034999 0.88 MAPT (0.45) HPGDSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL11128103 0.88 MAPT (0.45) HPGDSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL7432415 0.85 SMN1; SMN2 (0.50) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL27681244 0.83 SMN1; SMN2 (0.47) HPGDSMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL28214575 0.83 MMP1 (0.47) HPGDSMN1; SMN2HIF1AEPHX2MEN1
SCHEMBL675542 0.82 SMN1; SMN2 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097400-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-09-09 EP disclosed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 WO disclosed