SCHEMBL29954612

SCHEMBL29954612

O=Cc1ccc(NC(=O)OCc2ccccc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 2/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.52
SCD O00767 3/20 0.52
ENPP2 Q13822 2/20 0.51
PTPN1 P18031 1/20 0.51
ROCK2 O75116 1/20 0.50
OPRK1 P41145 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL23612078 0.89 MGLL (0.55) MGLLMAPTALDH1A1MEN1LMNA
SCHEMBL7383453 0.85 MAPT (0.72) MGLLMAPTALDH1A1MEN1LMNA
SCHEMBL29952213 0.85 MGLL (0.56) MGLLMAPTALDH1A1TP53NPC1
SCHEMBL4875564 0.85 MGLL (0.56) MGLLMAPTALDH1A1TP53NPC1
SCHEMBL12876566 0.84 MGLL (0.56) MGLLMAPTALDH1A1MEN1LMNA
SCHEMBL3789239 0.83 MEN1 (0.60) MGLLMAPTALDH1A1MEN1LMNA
SCHEMBL23612217 0.83 MEN1 (0.54) MGLLMAPTALDH1A1MEN1LMNA
SCHEMBL29954425 0.82 MGLL (0.56) MGLLMAPTALDH1A1TP53NPC1
SCHEMBL29952692 0.82 MGLL (0.56) MGLLMAPTALDH1A1TP53NPC1
SCHEMBL23612093 0.82 MEN1 (0.65) MGLLMAPTALDH1A1MEN1LMNA

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