SCHEMBL25934779

SCHEMBL25934779

Cc1c(CBr)c(C)c(CBr)c(CCC(=O)O)c1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KEAP1 Q14145 1/20 0.34
GPR17 Q13304 1/20 0.34
EGFR P00533 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR1 O14842 2/20 0.33
LMNA P02545 2/20 0.33
FFAR3 O14843 1/20 0.32

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
SCHEMBL364082 0.78 NPSR1 (0.46) NPSR1HSD17B10KDM4ENPC1RAB9A
SCHEMBL28830916 0.77 NPSR1 (0.50) NPSR1HSD17B10KDM4ENPC1RAB9A
SCHEMBL29720879 0.76 NPSR1 (0.45) NPSR1HSD17B10KDM4ENPC1RAB9A
SCHEMBL25934782 0.75 NPSR1 (0.41) NPSR1HSD17B10KDM4ENPC1RAB9A
SCHEMBL2919515 0.75 NPSR1 (0.48) NPSR1HSD17B10KDM4ENPC1RAB9A
SCHEMBL547346 0.67 HSD17B10 (0.51) NPSR1HSD17B10KDM4EALDH1A1GPR17
SCHEMBL11406069 0.66 KEAP1 (0.41) NPSR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11020883 0.66
SCHEMBL394179 0.65
SCHEMBL7695445 0.64 IMPDH2 (0.49)

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
WO-2023144240-A1 GLUCOSE SENSITIVE INSULIN DERIVATIVES AND USES THEREOF NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-08-03 WO disclosed
WO-2023144545-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2023-08-03 WO disclosed