SCHEMBL8077602

SCHEMBL8077602

CO/C=C(/C(=O)O)c1ccccc1COc1cccc(C2CC2C(=O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
NR4A2 P43354 1/20 0.38
RAB9A P51151 1/20 0.38
SLC9A1 P19634 1/20 0.37
APP P05067 1/20 0.36
KDM1A O60341 1/20 0.35
FFAR1 O14842 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8077603 1.00 HIF1A (0.39) HIF1AMAPTL3MBTL1NPC1NR4A2
SCHEMBL8083996 0.88 HIF1A (0.41) HIF1ANPC1NR4A2RAB9AKDM1A
SCHEMBL8083999 0.88 HIF1A (0.41) HIF1ANPC1NR4A2RAB9AKDM1A
SCHEMBL8077647 0.86 HIF1A (0.36) HIF1ANPC1NR4A2RAB9ASLC9A1
SCHEMBL6933903 0.84 HIF1A (0.35) HIF1ASLC9A1FFAR1
SCHEMBL6933907 0.84 HIF1A (0.35) HIF1ASLC9A1FFAR1
SCHEMBL8077605 0.84 HIF1A (0.41) HIF1AMAPTL3MBTL1NPC1NR4A2
SCHEMBL8082315 0.81 HIF1A (0.36) HIF1AMAPT
SCHEMBL8082320 0.81 HIF1A (0.36) HIF1AMAPT
SCHEMBL8079209 0.81 HIF1A (0.47) HIF1AKDM1ASCN3AMAOB

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-0889024-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 2000-09-13 EP disclosed
EP-0889024-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-01-07 EP disclosed