SCHEMBL669447

SCHEMBL669447

O=CCc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 2/20 0.50
PRMT1 Q99873 1/20 0.50
HSP90AA1 P07900 1/20 0.49
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL4619587 0.84 HSD17B10 (0.39) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL4021512 0.81 ERN1 (0.55) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL16345435 0.81 MEN1 (0.36) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL21812007 0.81 IDO1 (0.37) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL10400341 0.80 CYP1A2 (0.50) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL13888086 0.77 HSD17B10 (0.56) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL21823051 0.77 ERN1 (0.37) ERN1RECQLMEN1KMT2ACA1
SCHEMBL11505512 0.76 HSD17B10 (0.62) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL67608 0.76 HSP90AA1 (0.74) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL3807487 0.76 CYP1A2 (0.50) ERN1HSD17B10ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020079106-A1 CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-23 WO disclosed
EP-2605653-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2013-06-26 EP disclosed
WO-2012024494-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 WO disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 WO disclosed