SCHEMBL7806916

SCHEMBL7806916

[CH2]Oc1cc2ccccc2oc1=O

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
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 7/20 0.51
MAOB P27338 6/20 0.51
RAB9A P51151 3/20 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
SCHEMBL28437671 0.85 HPGD (0.58) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL28915664 0.81 SMN1; SMN2 (0.59) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL106241 0.81 MEN1 (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL15842611 0.81 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL28444989 0.81 HPGD (0.55) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL28533748 0.80 HPGD (0.53) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL15842326 0.80 HPGD (0.53) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL30603420 0.80 HPGD (0.53) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL8881621 0.80 MEN1 (0.58) HPGDSMN1; SMN2TYRDAOAKR1B1
Hydrochloric Acid SCHEMBL11233384 0.80 MEN1 (0.58) HPGDSMN1; SMN2TYRDAOAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861242-B1 HETEROCYCLIC FUNGICIDES AVENTIS CROPSCIENCE UK LTD (GB) 2001-05-30 EP disclosed
US-6034121-A AGRICULTURE AGREVO UK LIMITED (GB) 2000-03-07 US disclosed
EP-0861242-A1 HETEROCYCLIC FUNGICIDES AgrEvo UK Limited (GB) 1998-09-02 EP disclosed
WO-1997013762-A1 HETEROCYCLIC FUNGICIDES AGREVO UK LIMITED (GB) 1997-04-17 WO disclosed