SCHEMBL9236229

SCHEMBL9236229

C=CCOC(=O)C(N)(N)CCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HSD17B10 Q99714 3/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
FDPS P14324 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
APP P05067 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
SCHEMBL28285153 0.89 TSHR (0.49) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL27714241 0.81 TSHR (0.46) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL5915455 0.79 TSHR (0.44) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL27195623 0.78 TSHR (0.43) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL19105257 0.78 TSHR (0.43) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL1969059 0.78 TSHR (0.43) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL29220429 0.76 TSHR (0.42) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL1680282 0.76 MAPT (0.40) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL28562839 0.75 TSHR (0.41) TSHRMAPTCACNA1BAPBA1HSD17B10
SCHEMBL28133893 0.75 TSHR (0.41) TSHRMAPTCACNA1BAPBA1HSD17B10

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
WO-1995011593-A1 CLEANING SOLUTION ERSSON MATS (SE) 1995-05-04 WO disclosed