SCHEMBL9404873

SCHEMBL9404873

COc1ccc2c(c1OC)[N]CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
ACHE P22303 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
CES2 O00748 4/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
RAD52 P43351 2/20 0.37
EP300 Q09472 2/20 0.37
KDM1A O60341 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL9404804 0.89 NPC1 (0.43) KDM4EMAPTLMNAACHEHPGD
SCHEMBL1828068 0.75 KDM4E (0.38) KDM4EMAPTLMNAACHEHPGD
SCHEMBL9404766 0.71 KDM4E (0.44) KDM4EMAPTLMNAACHEHPGD
SCHEMBL6413455 0.71 KDM4E (0.39) KDM4EMAPTLMNAACHEHPGD
SCHEMBL3158365 0.68 KDM4E (0.56) KDM4EMAPTLMNAACHEHPGD
SCHEMBL9404907 0.68 KDM4E (0.44) KDM4EMAPTLMNAACHEHPGD
SCHEMBL3674074 0.67 CA9 (0.50) KDM4EMAPTACHEHPGDALDH1A1
SCHEMBL30701949 0.67 CA9 (0.50) KDM4EMAPTACHEHPGDALDH1A1
Ammonia Solution, Strong SCHEMBL28905550 0.67 KDM4E (0.55) KDM4EMAPTLMNAACHEHPGD
SCHEMBL301029 0.66 NPC1 (0.41) KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313081-B1 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMA CO LTD (JP) 1994-02-02 EP disclosed
US-4950662-A ANTIBIOTIC OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-21 US disclosed
EP-0313081-A2 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed