SCHEMBL9969157

SCHEMBL9969157

C=CC(CCC(=O)O)C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
BLM P54132 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
BMP1 P13497 3/20 0.41
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
FOLH1 Q04609 4/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38

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
SCHEMBL3963535 0.77 SLC6A2 (0.56) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL14479113 0.76 GABRP (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL11523920 0.75
SCHEMBL17301601 0.72 SLC6A2 (0.50) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL24336895 0.71 CYP1A2 (0.60) BMP1ANPEPENPEPFOLH1GABRP
SCHEMBL5158040 0.71 FOLH1 (0.65) BMP1ANPEPENPEPFOLH1GABRP
SCHEMBL24633638 0.70
SCHEMBL23468491 0.69 BMP1 (0.56) BMP1ANPEPENPEPFOLH1GABRP
SCHEMBL24140515 0.69 GRM8 (0.58) SLC6A2SLC6A4BLMSLC6A3CYP2D6
SCHEMBL85942 0.69 GRM8 (0.58) SLC6A2SLC6A4BLMSLC6A3CYP2D6

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-2012080929-A2 USE OF IDE AS A BIOMARKER FOR A SCALP CONDITION L'OREAL (FR) 2012-06-21 WO disclosed