Ethane

Ethane

SCHEMBL28124193

CC.Cc1cc(-c2ccc(O)cc2O)c(C)cc1O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
ALOX12 P18054 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
G6PD P11413 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
CCR6 P51684 1/20 0.54
HIF1A Q16665 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ESR2 Q92731 10/20 0.47
ESR1 P03372 9/20 0.47

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
SCHEMBL15511832 0.89 KDM4E (0.56) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL19186914 0.82 ESR2 (0.65) ALDH1A1MAPTALOX12ESR2ESR1
SCHEMBL30693660 0.82 KDM4E (0.68) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL4388616 0.82 KDM4E (0.68) ALDH1A1MAPTALOX12KDM4ECYP1A2
P-Cresol SCHEMBL15511594 0.81 ACHE (0.56) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL31545845 0.80 ALDH1A1 (0.75) ALDH1A1MAPTALOX12KDM4ECYP1A2
SCHEMBL6068072 0.77 TP53 (0.54) CYP1A2CYP2C19ESR2ESR1ALOX5
SCHEMBL29623114 0.76 ALOX5 (0.62) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL278749 0.76 ALOX5 (0.62) ALDH1A1MAPTKDM4ECYP3A4HPGD
Metacresol SCHEMBL15512632 0.76 ACHE (0.65) ALDH1A1MAPTALOX12KDM4ECYP1A2

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-106338888-A Photosensitive resin composition, protective film and element 奇美实业股份有限公司 2017-01-18 CN disclosed