SCHEMBL18173532

SCHEMBL18173532

CCOCCOc1cc(-c2ccco2)cc(OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
TSHR P16473 4/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 4/20 0.38
ADORA2A P29274 2/20 0.37
SMPD3 Q9NY59 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
SCHEMBL2389984 0.84 ERN1 (0.56) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18173531 0.77 ERN1 (0.43) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2387911 0.76 KDM4E (0.59) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18173535 0.74 ERN1 (0.57) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL17471104 0.72 ERN1 (0.45) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2388588 0.70 MAPT (0.64) ERN1ALDH1A1HPGDKDM4ETSHR
SCHEMBL2389780 0.70 ERN1 (0.57) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2388856 0.70 MAPT (0.53) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2387527 0.69 ERN1 (0.56) ERN1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2387255 0.69 ERN1 (0.73) ERN1ALDH1A1HPGDKDM4ETSHR

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-3285760-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2018-02-28 EP disclosed
WO-2016172573-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2016-10-27 WO disclosed