Ethane

Ethane

SCHEMBL7214461

CC.Nc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.65
PARP10 Q53GL7 7/20 0.59
PARP15 Q460N3 6/20 0.59
PARP2 Q9UGN5 2/20 0.53
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
FFAR1 O14842 1/20 0.47
HPGD P15428 1/20 0.47
GRM2 Q14416 1/20 0.46

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
SCHEMBL2657957 0.96 NFE2L2 (0.69) NFE2L2PARP10PARP15PARP2HPGD
SCHEMBL745672 0.94 NFE2L2 (0.66) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL2563096 0.91 PARP10 (0.62) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL2565996 0.87 PARP15 (0.59) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL81903 0.81 PARP15 (0.58) PARP10PARP15PARP2TDP1FFAR1
SCHEMBL13439690 0.81 FFAR1 (0.56) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL8178695 0.80 PARP10 (0.57) NFE2L2PARP10PARP15PARP2TSHR
SCHEMBL11164865 0.79 PARP15 (0.57) PARP10PARP15PARP2TDP1FFAR1
SCHEMBL20969565 0.79 PARP10 (0.56) PARP10PARP15PARP2FFAR1
SCHEMBL7214458 0.79 PARP10 (0.56) NFE2L2PARP10PARP15PARP2HPGD

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
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed