SCHEMBL18554665

SCHEMBL18554665

O=c1oc2ccccc2cc1C(O)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
TYR P14679 1/20 0.56
DAO P14920 1/20 0.56
AKR1B1 P15121 1/20 0.56
MAOB P27338 7/20 0.51
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CA1 P00915 2/20 0.51
POLB P06746 1/20 0.51
CA3 P07451 1/20 0.51
TSHR P16473 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
GPR35 Q9HC97 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
KDM4E B2RXH2 4/20 0.50

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
SCHEMBL383681 0.86 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
SCHEMBL7544470 0.86 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
Ammonia Solution, Strong SCHEMBL6994460 0.84 HPGD (0.53) HPGDTYRDAOAKR1B1MAOB
SCHEMBL7963724 0.83 HPGD (0.56) HPGDTYRDAOAKR1B1MAOB
Dimethylamine SCHEMBL5140932 0.80 HPGD (0.49) HPGDTYRDAOAKR1B1MAOB
SCHEMBL15842660 0.79 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
SCHEMBL837687 0.79 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
SCHEMBL28312969 0.78 MAOB (0.54) HPGDTYRDAOAKR1B1MAOB
Benzyl Alcohol SCHEMBL333772 0.77 MAOB (0.48) HPGDTYRDAOAKR1B1MAOB
SCHEMBL29064589 0.76 HPGD (0.42) HPGDTYRDAOAKR1B1MAOB

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
WO-2017032487-A1 PROTEASOME INHIBITOR COMPRISING A SIGNAL-EMITTING MOIETY Technische Universität München (DE) 2017-03-02 WO disclosed