Ethane

Ethane

SCHEMBL11761237

CC.Cc1cc(C)c(C(CN2C(=O)C3=C(CCCC3)C2=O)C(=O)O)c(C)c1

nearest known ligand 0.35

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ITGAV P06756 1/20 0.33
GAA P10253 1/20 0.32
GRM7 Q14831 3/20 0.31
GRM4 Q14833 3/20 0.31
GRM1 Q13255 1/20 0.31
TSHR P16473 3/20 0.31
POLB P06746 2/20 0.31
PSIP1 O75475 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10953631 0.87 PSIP1 (0.34) KDM4ELMNAITGAVPSIP1
SCHEMBL24939871 0.72 LMNA (0.39) KDM4ELMNAALDH1A1POLBMAPT
SCHEMBL3670253 0.70 AKR1C3 (0.45) KDM4EALDH1A1NPSR1
SCHEMBL24939865 0.69 LMNA (0.39) KDM4ELMNATSHRMAPTNPSR1
SCHEMBL10953637 0.67 KDM4E (0.33) KDM4ELMNA
SCHEMBL15894720 0.66 PIK3CD (0.44) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL5998489 0.64 ALDH1A1 (0.36) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL19301942 0.63 KDM4E (0.39) KDM4ELMNA
SCHEMBL3088958 0.63 AMY1A (0.45) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL7503582 0.63 CA12 (0.48) KDM4ELMNAALDH1A1HPGDHSD17B10

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-4058622-A Substituted phenyl acetate, insecticidal composition and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-15 US disclosed