SCHEMBL28805802

SCHEMBL28805802

Cc1ccccc1Oc1c(C(=O)O)c(C)nn1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GPBAR1 Q8TDU6 8/20 0.45
ABCB1 P08183 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL876477 0.81 KDM4E (0.61) MAPTKDM4EGPBAR1
SCHEMBL877275 0.81 KDM4E (0.54) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL876600 0.79 KDM4E (0.57) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL877251 0.77 KDM4E (0.75) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL877302 0.77 KDM4E (0.58) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL876596 0.77 KDM4E (0.58) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL876883 0.77 MAPT (0.79) MAPTKDM4EGPBAR1ABCB1CYP1A2
SCHEMBL15057528 0.76 MAPT (0.68) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL876906 0.75 KDM4E (0.64) MAPTKDM4EGPBAR1CYP1A2CYP2C9
SCHEMBL876054 0.74 KDM4E (1.00) MAPTKDM4EGPBAR1CYP1A2CYP2C9

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-103097358-B Pharmaceutical composition EISAI R&D MAN CO LTD 2015-04-08 CN disclosed
CN-103097358-A Pharmaceutical composition EISAI R&D MAN CO LTD 2013-05-08 CN disclosed