SCHEMBL8726534

SCHEMBL8726534

[CH]1CCC(c2ccco2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
POLB P06746 5/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CHRM5 P08912 10/20 0.44
CHRM3 P20309 10/20 0.44
CHRM1 P11229 9/20 0.44
CHRM2 P08172 9/20 0.44
CHRM4 P08173 9/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
RECQL P46063 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 3/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL10747293 0.89 TDP1 (0.48) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL21402172 0.86
SCHEMBL28726197 0.82
SCHEMBL9825250 0.82 POLB (0.53) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL1386940 0.80 POLB (0.52) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL18608234 0.77 TDP1 (0.48) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL20908426 0.77 MAPT (0.48) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL3258927 0.77 POLB (0.48) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL8372303 0.77 CHRM5 (0.52) TDP1POLBMAPTKMT2ANPSR1
SCHEMBL3438539 0.75 MAPT (0.61) TDP1POLBMAPTKMT2ANPSR1

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
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
EP-0216299-A1 Quinoxaline derivatives, method for their preparartion and their use to protect cultivated plants against phytotoxical reaction of herbicides BASF Aktiengesellschaft (DE) 1987-04-01 EP disclosed