Ethane

Ethane

SCHEMBL28201792

CC.O=[N+]([O-])c1ccc(O)c(-c2cc([N+](=O)[O-])ccc2O)c1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
GPR35 Q9HC97 2/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 3/20 0.60
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX12 P18054 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
ERN1 O75460 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
PTPRC P08575 1/20 0.53
S100A4 P26447 1/20 0.53
POLB P06746 1/20 0.50

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
SCHEMBL10603975 0.96 ALDH1A1 (0.67) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL11309698 0.96 ALDH1A1 (0.67) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL9701536 0.84 GPR35 (0.58) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL8409396 0.82 TDP1 (0.48) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL31167616 0.81 MEN1 (0.59) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL536487 0.81 MEN1 (0.59) ALDH1A1TSHRGPR35TP53HPGD
SCHEMBL11165999 0.81 MAPT (0.50) ALDH1A1TSHRGPR35TP53HPGD
4-Nitrocatechol SCHEMBL11765698 0.80 TSHR (0.69) ALDH1A1TSHRGPR35TP53HPGD
4-Nitrocatechol SCHEMBL156909 0.80 TSHR (0.69) ALDH1A1TSHRGPR35TP53HPGD
4-Nitrocatechol SCHEMBL1608536 0.80 TSHR (0.69) ALDH1A1TSHRGPR35TP53HPGD

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
CN-107636054-A It is a kind of to degrade and reclaim cross-linked polymer or strengthen the method for composite 艾达索高新材料无锡有限公司 2018-01-26 CN disclosed