SCHEMBL28263146

SCHEMBL28263146

C=C(C)C(N)=O.C=CCOC.C=CO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
Urea SCHEMBL7200459 0.83
SCHEMBL7933898 0.82 TDP1 (0.50) TDP1MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL11216980 0.81 TDP1 (0.55) TDP1MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL5703612 0.80
Acetic Acid SCHEMBL5681984 0.78
SCHEMBL875124 0.78 TDP1 (0.50) TDP1MAPTCACNA1BAPBA1ALDH1A1
Bicarbonate SCHEMBL7206892 0.75
Allylamine SCHEMBL4763857 0.73 TDP1 (0.63) TDP1ALDH1A1TP53TSHR
SCHEMBL22410486 0.73 TDP1 (0.63) TDP1MAPTALDH1A1KDM4ETP53
SCHEMBL2858632 0.73 TDP1 (0.63) TDP1ALDH1A1TP53TSHR

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-109072123-A Lubricating oil composition for shock absorber, method for producing same, damping method, and shock absorber 出光兴产株式会社 2018-12-21 CN disclosed