SCHEMBL8930745

SCHEMBL8930745

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TSHR P16473 7/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 3/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 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
SCHEMBL22228243 0.81 MAPT (0.40) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL8047550 0.80 MAPT (0.39) MAPTCACNA1BAPBA1TSHRALDH1A1
Acrylonitrile SCHEMBL277295 0.79 TSHR (0.43) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL30941 0.79 MAPT (0.52) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL2086750 0.79 MAPT (0.52) MAPTCACNA1BAPBA1TSHRALDH1A1
Methacrylic Acid SCHEMBL460588 0.79 TSHR (0.37) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL27290907 0.79 TSHR (0.46) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL268085 0.79
SCHEMBL8930971 0.79 MAPT (0.33) MAPTCACNA1BAPBA1TSHRALDH1A1
Acrylic Acid SCHEMBL460728 0.78 MAPT (0.40) MAPTCACNA1BAPBA1TSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9003781-A None JP disclosed
JP-H093781-A BONDING CLOTH JAPAN VILENE CO LTD 1997-01-07 JP disclosed