SCHEMBL8930971

SCHEMBL8930971

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TSHR P16473 6/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 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
SCHEMBL175412 0.82 ALOX15 (0.34) HSD17B10ALOX15
SCHEMBL19180814 0.81 TSHR (0.58) MAPTTSHRALDH1A1TP53HIF1A
SCHEMBL8930745 0.79 MAPT (0.38) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL196174 0.77 TSHR (0.43) MAPTCACNA1BAPBA1TSHRALDH1A1
Acrylonitrile SCHEMBL277295 0.77 TSHR (0.43) MAPTCACNA1BAPBA1TSHRALDH1A1
Methacrylic Acid SCHEMBL460588 0.77 TSHR (0.37) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL27290907 0.77 TSHR (0.46) MAPTCACNA1BAPBA1TSHRALDH1A1
Acrylic Acid SCHEMBL460728 0.76 MAPT (0.40) MAPTCACNA1BAPBA1TSHRALDH1A1
Methacrylic Acid SCHEMBL28076457 0.76 TSHR (0.36) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL208005 0.75 PAM (0.46) MAPTTSHRALDH1A1HSD17B10CYP3A4

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-9003782-A None JP disclosed
JP-H093782-A BONDING FOUNDATION CLOTH JAPAN VILENE CO LTD 1997-01-07 JP disclosed