SCHEMBL10742425

SCHEMBL10742425

C=C(O)COc1ccccc1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.51
MAPT P10636 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCB1 P08183 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
POLB P06746 1/20 0.46
GLA P06280 1/20 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
SCHEMBL9979663 0.88 LMNA (0.62) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL4006491 0.86 LMNA (0.64) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL11100909 0.81 HTT (0.72) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL10966260 0.81 LMNA (0.62) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL7043647 0.80 LMNA (0.66) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL16966571 0.79 KDM4E (0.65) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3316012 0.79 KDM4E (0.65) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL29938478 0.79 LMNA (0.60) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL9331793 0.79 L3MBTL1 (0.59) LMNASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL11286223 0.79 LMNA (0.60) LMNASMN1; SMN2KDM4EALDH1A1HTT

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-4663347-A ANTIINFLAMMATORY, ANTIALLERGENS, CARDIOVASCULAR MERCK FROSST CANADA, INC. (CA) 1987-05-05 US disclosed