SCHEMBL19984839

SCHEMBL19984839

N#Cc1ccccc1C(=O)CC(O)I

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PPIA P62937 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
MAOA P21397 1/20 0.34
HTR2B P41595 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL13647212 0.81 MAPK1 (0.46) LMNAALDH1A1POLBL3MBTL1MAPK1
SCHEMBL2558412 0.76 PPIA (0.38) LMNAALDH1A1PPIAPOLBMAPT
SCHEMBL27576279 0.75 MAPT (0.42) LMNAALDH1A1PPIAPOLBMAPT
SCHEMBL392810 0.75 PTPN1 (0.50) LMNAPPIAPOLBMAPTGAA
SCHEMBL8239082 0.75 TSHR (0.52) LMNAALDH1A1PPIAPOLBMAPT
SCHEMBL29777919 0.75 TSHR (0.52) LMNAALDH1A1PPIAPOLBMAPT
SCHEMBL12237066 0.74 ALDH1A1 (0.39) LMNAALDH1A1PPIAPOLBL3MBTL1
SCHEMBL19984929 0.74 ERCC5 (0.51) LMNAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL19984928 0.74 ERCC5 (0.51) L3MBTL1NPC1RAB9A
SCHEMBL28662371 0.72 TSHR (0.39) LMNAALDH1A1PPIAPOLBMAPT

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
EP-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed