Ethane

Ethane

SCHEMBL28319082

CC.CCOC(=O)C=C(C#N)c1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 1/20 0.42
PTGS2 P35354 1/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL9467707 0.98 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL31467360 0.98 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL1054908 0.98 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL2581993 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL21457569 0.88 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL28656274 0.87 LMNA (0.53) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL10974068 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL21457376 0.86 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL21457257 0.85 ESR1 (0.51) SMN1; SMN2ALDH1A1MAPK1NPSR1LMNA
SCHEMBL21457423 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1KDM4EHPGD

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-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed