SCHEMBL7544470

SCHEMBL7544470

O=c1oc2ccccc2cc1C(F)(F)F.O=c1oc2ccccc2cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TYR P14679 1/20 0.55
DAO P14920 1/20 0.55
AKR1B1 P15121 1/20 0.55
POLB P06746 1/20 0.55
MAOB P27338 7/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 4/20 0.51
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
CA3 P07451 1/20 0.50
TSHR P16473 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
GPR35 Q9HC97 1/20 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 1.00 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
Ammonia Solution, Strong SCHEMBL6994460 0.98 HPGD (0.53) HPGDSMN1; SMN2TYRDAOAKR1B1
Dimethylamine SCHEMBL5140932 0.93 HPGD (0.49) HPGDSMN1; SMN2TYRDAOAKR1B1
Benzyl Alcohol SCHEMBL333772 0.87 MAOB (0.48) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL18554665 0.86 HPGD (0.56) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL22590858 0.82 RAB9A (0.57) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL837687 0.81 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL15842660 0.81 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL24312138 0.79 HPGD (0.51) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL15842332 0.79 PGR (0.43) HPGDMAOBKDM4EALDH1A1GAA

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-1210342-A1 THE USE OF FLUORESCEIN ARYL ETHERS IN HIGH THROUGHPUT CYTOCHROME P450 INHIBITION ASSAYS GENTEST CORPORATION (US) 2002-06-05 EP disclosed
WO-2001014361-A1 THE USE OF FLUORESCEIN ARYL ETHERS IN HIGH THROUGHPUT CYTOCHROME P450 INHIBITION ASSAYS GENTEST CORPORATION (US) 2001-03-01 WO disclosed