SCHEMBL8375753

SCHEMBL8375753

CC[CH]c1c(OC)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 5/20 0.56
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
CYP3A4 P08684 1/20 0.52
BACE1 P56817 1/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NQO1 P15559 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
RECQL P46063 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
SCHEMBL3698427 0.84 KDM4E (0.63) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL13583515 0.81 KDM4E (0.65) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL29708058 0.80 MAPT (0.68) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL1002660 0.80 MAPT (0.68) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL8375788 0.78 L3MBTL1 (0.68) MAPTCYP2C9GAAL3MBTL1TDP1
SCHEMBL2314949 0.77 KDM4E (0.73) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL2604953 0.77 BACE1 (0.61) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL3954698 0.77 KDM4E (0.59) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL3954692 0.77 KDM4E (0.59) KDM4EHPGDMAPTCYP1A2CYP2C9
SCHEMBL14198037 0.77 KDM4E (0.64) KDM4EHPGDMAPTCYP1A2CYP2C9

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-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed