SCHEMBL28566971

SCHEMBL28566971

COc1cccc(C(=O)Nc2ccccc2C(O)C(N)=O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 2/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
METAP2 P50579 1/20 0.47
USP2 O75604 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
SCHEMBL29603751 0.83 GAA (0.70) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL13290719 0.78 NPC1 (0.68) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL29603459 0.78 ALDH1A1 (0.67) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL22833906 0.78 ALDH1A1 (0.67) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL4860223 0.76 CA1 (0.50) KDM4EALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL21311334 0.74 KCNK3 (0.71) GAARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL27739490 0.74 RAB9A (0.76) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL8522485 0.72 TSHR (0.56) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL28805447 0.72 RAB9A (0.65) GAAKDM4EALDH1A1RAB9ANPC1
SCHEMBL4349487 0.72 CTSD (0.72) GAAKDM4EALDH1A1RAB9ANPC1

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
CN-107920973-B Surface modification composition 株式会社LG生活健康 2021-05-07 CN disclosed