SCHEMBL28577458

SCHEMBL28577458

CC(Oc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 3/20 0.58
ATM Q13315 1/20 0.56
MITF O75030 1/20 0.55
HPGD P15428 2/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.53
KLK7 P49862 1/20 0.52
CASP6 P55212 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL28577456 1.00 LMNA (0.64) LMNAMAPTSMN1; SMN2POLBKMT2A
SCHEMBL21729893 0.87 POLB (0.79) LMNAMAPTSMN1; SMN2POLBKMT2A
SCHEMBL10175697 0.87 LMNA (0.73) LMNAMAPTSMN1; SMN2POLBKMT2A
SCHEMBL28582449 0.86 POLB (0.61) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL28575820 0.86 LMNA (0.69) LMNAMAPTSMN1; SMN2POLBKMT2A
SCHEMBL28573999 0.86 POLB (0.61) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL28575819 0.86 LMNA (0.69) LMNAMAPTSMN1; SMN2POLBKMT2A
SCHEMBL28574002 0.86 POLB (0.61) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL2610070 0.84 LMNA (0.66) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL28581179 0.84 MEN1 (0.81) LMNAMAPTSMN1; SMN2POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778154-B Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-05-13 CN disclosed
CN-112778154-A Aryl alkyl ether compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-05-11 CN disclosed