SCHEMBL2012449

SCHEMBL2012449

Cn1nnc2c(C(=O)O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.45
SLC9A1 P19634 1/20 0.43
KEAP1 Q14145 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CCKBR P32239 1/20 0.40
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
DHODH Q02127 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
FABP4 P15090 2/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.37
MGAM O43451 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
SCHEMBL30622603 1.00 HCAR3 (0.45) HCAR3SLC9A1KEAP1ALDH1A1CCKBR
Diisopropanolamine SCHEMBL2857245 0.85 CCKBR (0.36) HCAR3SLC9A1KEAP1ALDH1A1CCKBR
SCHEMBL2848834 0.85 CA12 (0.43) HCAR3CCKBRKDM4EHPGDRAB9A
SCHEMBL2845759 0.83 CA12 (0.43)
SCHEMBL724308 0.81 MAPK1 (0.51) ALDH1A1ALOX15KDM4EHPGDDHODH
SCHEMBL10347831 0.79 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4EHPGDDHODH
SCHEMBL11022153 0.79 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4EHPGDDHODH
SCHEMBL8952902 0.78 HCAR3 (0.47) HCAR3SLC9A1KEAP1ALDH1A1CCKBR
SCHEMBL28411473 0.77 GRM2 (0.62) HCAR3SLC9A1ALDH1A1MEN1KMT2A
SCHEMBL16610475 0.76 GRM2 (0.40) ALDH1A1KDM4EHPGDRAB9AMGAM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115542668-A Photosensitive resin composition 东京应化工业株式会社 2022-12-30 CN disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed