SCHEMBL8246402

SCHEMBL8246402

O=c1oc2cc(OCC(O)CNc3ccccc3)c(Cl)cc2c2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 2/20 0.56
▸ KDM4E B2RXH2 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ POLB P06746 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ GLA P06280 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CASP1 P29466 2/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAOB P27338 2/20 0.43

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
Hydrochloric Acid SCHEMBL4710612 0.99 FHIT (0.56) FHITKDM4EALDH1A1POLBNPC1
SCHEMBL4709626 0.85 KDM4E (0.64) FHITKDM4EALDH1A1POLBNPC1
SCHEMBL4712428 0.84 KDM4E (0.61) FHITKDM4EALDH1A1POLBNPC1
Hydrochloric Acid SCHEMBL4710861 0.83 KDM4E (0.60) FHITKDM4EALDH1A1POLBNPC1
SCHEMBL10999716 0.81 MAPT (0.46) KDM4EALDH1A1TDP1RXFP1HPGD
Hydrochloric Acid SCHEMBL10509505 0.81 MAPT (0.45) KDM4EALDH1A1TDP1HPGDKMT2A
SCHEMBL4710636 0.79 KDM4E (0.62) FHITKDM4EALDH1A1POLBNPC1
SCHEMBL4710578 0.78 KDM4E (0.63) FHITKDM4EALDH1A1POLBNPC1
SCHEMBL4711828 0.77 KDM4E (0.56) FHITKDM4EALDH1A1POLBNPC1
SCHEMBL4711123 0.74 KDM4E (0.64) FHITKDM4EALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 — — WO disclosed
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