SCHEMBL8299088

SCHEMBL8299088

CC(C)Cc1ccc(-c2cc(C(N)=O)[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 7/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
MAPT P10636 5/20 0.53
GAA P10253 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
XDH P47989 1/20 0.48
MME P08473 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
ACR P10323 2/20 0.46

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
SCHEMBL29444415 0.79 ALPL (0.73) ALPLCA12CA9MAPTTP53
SCHEMBL2846632 0.76 ALPL (0.73) ALPLCA12MAPTTP53ALDH1A1
SCHEMBL4638840 0.76 ALPL (0.73) ALPLCA12TP53ACRPLA2G10
SCHEMBL18726258 0.76 ACR (0.57) ALPLCA12CA9MAPTTP53
SCHEMBL2789578 0.76 TP53 (0.74) ALPLCA12MAPTGAATP53
SCHEMBL2848443 0.75 ALPL (0.76) ALPLCA9MAPTGAATP53
SCHEMBL27313254 0.74 ALPL (0.50) ALPLCA12CA9MAPTGAA
SCHEMBL4789868 0.74 CCNC (0.54) ALPLCA12MAPTGAATP53
SCHEMBL15651990 0.74 PLA2G10 (0.41) ALPLMAPTGAATP53RAB9A
SCHEMBL2845103 0.72 PLA2G10 (0.52) ALPLCA12CA9MAPTGAA

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-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed