SCHEMBL8714016

SCHEMBL8714016

CCOC(=O)c1oc2ccc(C#N)cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
AHR P35869 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.45
PLK1 P53350 1/20 0.45
HIF1A Q16665 5/20 0.44
PARG Q86W56 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7386021 0.90 HIF1A (0.54) KDM4EAHRALDH1A1HIF1APARG
SCHEMBL8713575 0.85 KDM4E (0.45) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL7450620 0.82 KDM4E (0.50) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL8714021 0.81 MAPT (0.42) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL758464 0.80 KDM4E (0.67) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL7386025 0.79 MAPT (0.40) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL19744161 0.79 MAOB (0.67) KDM4EMAPTRAB9AALDH1A1L3MBTL1
SCHEMBL10443761 0.78 KDM4E (0.48) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL4775716 0.76 KDM4E (0.71) KDM4EAHRNPC1MAPTRAB9A
SCHEMBL6981203 0.76 HIF1A (0.57) KDM4EAHRNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
CN-1131418-A Novel fused-ring carboxylic acid compound or salt thereof, and medicinal use thereof GREEN CROSS CORP (JP) 1996-09-18 CN disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed