SCHEMBL20052038

SCHEMBL20052038

CCOc1cc(-c2nc(CCC(=O)c3ccccc3OCOC)co2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CAPN1 P07384 1/20 0.38
CTNNB1 P35222 2/20 0.38
WNT3A P56704 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL4269874 0.96 KDM4E (0.41) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL4280633 0.95 SMN1; SMN2 (0.45) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL4270743 0.94 SMN1; SMN2 (0.45) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL13701424 0.94 SMN1; SMN2 (0.45) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL34465316 0.91 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL4279400 0.91 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL4275745 0.91 SMN1; SMN2 (0.41) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL13701431 0.91 SMN1; SMN2 (0.43) SMN1; SMN2POLBLMNAKDM4EHSD17B10
SCHEMBL4280787 0.91 KDM4E (0.45) SMN1; SMN2LMNAKDM4EHSD17B10MAPT
SCHEMBL4269917 0.91 KDM4E (0.42) SMN1; SMN2LMNAKDM4EHSD17B10MAPT

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
US-RE46792-E1 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-17 US disclosed
US-RE46792-E1 Oxazole compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-17 US disclosed