SCHEMBL14629136

SCHEMBL14629136

NC(=O)c1ccc(C=O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.59
LCK P06239 1/20 0.50
TYR P14679 2/20 0.47
TRIM24 O15164 2/20 0.47
TRIM33 Q9UPN9 2/20 0.47
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42

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
SCHEMBL29956840 0.84 ERN1 (0.74) ERN1LCK
SCHEMBL27258648 0.84 ERN1 (0.74) ERN1LCK
SCHEMBL850871 0.82 MAPT (0.59) ERN1TYRTRIM24TRIM33
SCHEMBL2552977 0.81 ERN1 (0.78) ERN1PARP1
SCHEMBL11585526 0.80 TYR (0.52) ERN1TYRTRIM24TRIM33
SCHEMBL6766308 0.80 ERN1 (0.50) ERN1LCKPARP1PARP10PARP3
SCHEMBL15652760 0.78 ERN1 (0.49) ERN1LCKPARP1PARP10PARP3
SCHEMBL15652131 0.78 ERN1 (0.55) ERN1LCKPARP1PARP10PARP3
SCHEMBL18133064 0.77 ERN1 (0.47) ERN1LCKPARP1PARP10PARP3
SCHEMBL15493934 0.77 ERN1 (0.48) ERN1TYRTRIM24TRIM33PARP10

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
WO-2024064026-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1524268-B1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2007-01-17 EP disclosed