SCHEMBL4619587

SCHEMBL4619587

O=CCc1cc(O)cc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ERN1 O75460 2/20 0.38
CYP1A2 P05177 3/20 0.35
PRMT1 Q99873 1/20 0.35
TTR P02766 3/20 0.34
TSHR P16473 2/20 0.34
RECQL P46063 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 2/20 0.33
CYP2C9 P11712 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 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
SCHEMBL669447 0.84 ERN1 (0.52) HSD17B10CYP3A4HPGDERN1CYP1A2
SCHEMBL16345435 0.81 MEN1 (0.36) HSD17B10CYP3A4HPGDERN1CYP1A2
SCHEMBL21812007 0.81 IDO1 (0.37) HSD17B10CYP3A4HPGDERN1CYP1A2
SCHEMBL4619369 0.78 KMT2A (0.41) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL26506104 0.77 HSD17B10 (0.44) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL21823051 0.77 ERN1 (0.37) ERN1RECQLBACE1MEN1NPC1
SCHEMBL5702227 0.76 HSD17B10 (0.46) HSD17B10TTRBACE1MEN1ESR1
SCHEMBL29776750 0.74 HSD17B10 (0.46) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL6044205 0.74 HSD17B10 (0.46) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL4120606 0.73 ALOX15 (0.36) HSD17B10CYP3A4HPGDCRHBPCRHR2

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-1883622-A1 SUBSTITUTED ARYL OXIMES Bayer CropScience Aktiengesellschaft (DE) 2008-02-06 EP disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 WO disclosed
EP-1638962-A2 SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004099197-A2 SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-18 WO disclosed