SCHEMBL27740993

SCHEMBL27740993

CCOc1ccc(-c2nc(NC)co2)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
S1PR1 P21453 15/20 0.49
S1PR3 Q99500 7/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL5592772 0.81 ALDH1A1 (0.51) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL4274950 0.81 HSD17B10 (0.49) HSD17B10KDM4EALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL29204570 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL4275135 0.78 KDM4E (0.51) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL4275027 0.78 HSD17B10 (0.51) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL4284427 0.77 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL1402470 0.77 KDM4E (0.62) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL4279374 0.77 PDE4D (0.36) KDM4EALDH1A1HPGDLMNAMAPK1
Hydrochloric Acid SCHEMBL29204567 0.76 DHODH (0.36) HSD17B10KDM4EALDH1A1HPGDRAB9A
SCHEMBL1402313 0.76 S1PR1 (0.64) HSD17B10KDM4EALDH1A1HPGDRAB9A

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-101309912-B Oxazole compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2013-09-25 CN disclosed
CN-101309912-A Oxazole compound and pharmaceutical composition OTSUKA PHARMA CO LTD (JP) 2008-11-19 CN disclosed