SCHEMBL6772083

SCHEMBL6772083

CCc1sc(C(=O)O)c(C)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.53
GRIA2 P42262 2/20 0.53
ALDH1A1 P00352 9/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
APOBEC3G Q9HC16 1/20 0.39
ADORA2A P29274 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3138044 0.81 GRIA4 (0.52) GRIA4GRIA2ALDH1A1HSD17B10TSHR
SCHEMBL14549321 0.78 GPR35 (0.42) GRIA4ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL8282826 0.78 GRIA4 (0.82) GRIA4GRIA2KMT2A
SCHEMBL1313857 0.75 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPK1GAA
SCHEMBL5728897 0.73 GRIA4 (0.75) GRIA4GRIA2KMT2A
SCHEMBL3128683 0.73 L3MBTL1 (0.56) ALDH1A1HSD17B10TSHRMAPK1GAA
SCHEMBL5728066 0.72 GRIA4 (0.73) GRIA4GRIA2KMT2A
SCHEMBL2550483 0.72 ALDH1A1 (0.41) GRIA4GRIA2ALDH1A1HSD17B10TSHR
SCHEMBL3128688 0.71 L3MBTL1 (0.50) GRIA4GRIA2ALDH1A1RXFP1HPGD
SCHEMBL8281925 0.70 GRIA4 (0.70) GRIA4GRIA2KMT2A

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
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed