SCHEMBL11277508

SCHEMBL11277508

CCOC(=O)Cn1c2cccccc-2cc1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.48
TSHR P16473 4/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11272994 0.80 L3MBTL1 (0.53) KDM4EALDH1A1L3MBTL1TSHRHPGD
SCHEMBL1987381 0.79 CYP1A2 (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4859201 0.79 HTT (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11183792 0.78 KDM4E (0.73) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8269503 0.75 BACE1 (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1987535 0.74 RAB9A (0.54) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7214682 0.74 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7214687 0.74 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7214686 0.74 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1987140 0.73 RAB9A (0.53) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337265-A COMPLICATIONS OF DIABETES AYERST, MCKENNA & HARRISON INC. (CA) 1982-06-29 US disclosed