SCHEMBL7769098

SCHEMBL7769098

CON=C(C(=O)OC)c1ccc2ccccc2c1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 4/20 0.35
MAP4K4 O95819 1/20 0.35
SYK P43405 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PIN1 Q13526 1/20 0.34
HIF1A Q16665 4/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
DHODH Q02127 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6447259 0.86 HIF1A (0.41) MAP4K4SYKSMN1; SMN2PIN1HIF1A
SCHEMBL7775118 0.83 HIF1A (0.39) HIF1AHPGDMEN1NPC1RAB9A
SCHEMBL3456741 0.77 PIN1 (0.39) MAP4K4SYKSMN1; SMN2PIN1ALDH1A1
SCHEMBL9494059 0.75 MAP4K4 (0.41) MAP4K4SYKSMN1; SMN2PIN1ALDH1A1
SCHEMBL9496487 0.73 MAP4K4 (0.39) EZH2MAP4K4SYKSMN1; SMN2PIN1
SCHEMBL9491020 0.73 MAP4K4 (0.39) EZH2MAP4K4SYKSMN1; SMN2PIN1
SCHEMBL22371494 0.73 MAP4K4 (0.40) MAP4K4SYKSMN1; SMN2PIN1ALDH1A1
Kresoxim-Methyl SCHEMBL7563778 0.73 HIF1A (0.43) PIN1HIF1AALDH1A1HPGD
SCHEMBL55086 0.72 MAP4K4 (0.39) EZH2MAP4K4SYKSMN1; SMN2PIN1
SCHEMBL9065463 0.72 MAP4K4 (0.39) EZH2MAP4K4SYKSMN1; SMN2PIN1

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-0647631-B1 Naphthylether, processes for their use, agents containing them and their use as fungicides BASF AG (DE) 2001-08-16 EP disclosed
EP-0647631-A1 Naphthylether, processes for their use, agents containing them and their use as fungicides BASF Aktiengesellschaft (DE) 1995-04-12 EP disclosed