SCHEMBL29952903

SCHEMBL29952903

O=Cc1ccc(OCC(=O)NC2CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
LMNA P02545 4/20 0.68
ATF4 P18848 3/20 0.68
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL29952142 0.94 ALDH1A1 (0.81) ALDH1A1LMNAATF4HTTSMN1; SMN2
SCHEMBL29955306 0.93 ALDH1A1 (0.83) ALDH1A1LMNAATF4HTTSMN1; SMN2
SCHEMBL29956853 0.93 ALDH1A1 (0.83) ALDH1A1LMNAATF4HTTSMN1; SMN2
SCHEMBL2556699 0.90 ALDH1A1 (0.64) ALDH1A1LMNAATF4HTTHPGD
SCHEMBL29954343 0.85 MAPT (0.61) ALDH1A1LMNAATF4RAB9AKMT2A
SCHEMBL29956675 0.83 HPGD (0.61) ALDH1A1LMNAATF4HTTHPGD
SCHEMBL17658518 0.81 LMNA (0.72) ALDH1A1LMNAATF4HTTHPGD
SCHEMBL17658509 0.81 LMNA (0.72) ALDH1A1LMNAATF4HTTHPGD
SCHEMBL16083047 0.81 ATF4 (1.00) ALDH1A1LMNAATF4HTTHPGD
SCHEMBL12629118 0.81 LMNA (0.72) ALDH1A1LMNAATF4HTTHPGD

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed