SCHEMBL9670288

SCHEMBL9670288

[O]C([O])c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.56
CYP2A6 P11509 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
MMP9 P14780 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
AOC3 Q16853 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15352395 0.83 UGT2B7 (0.54) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL27994700 0.81 UGT2B7 (0.52) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL15352901 0.81 UGT2B7 (0.52) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL132329 0.81 UGT2B7 (0.63) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL30559658 0.80 UGT2B7 (0.56) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL1538959 0.80 UGT2B7 (0.56) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL11431877 0.80 UGT2B7 (0.56) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL30559659 0.80 UGT2B7 (0.56) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL2837489 0.79 UGT2B7 (0.60) UGT2B7CYP2A6MEN1KMT2AATM
SCHEMBL9179436 0.77 UGT2B7 (0.71) UGT2B7CYP2A6MEN1KMT2AATM

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
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP claimed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed