SCHEMBL11279518

SCHEMBL11279518

C=CCOC(=O)C(C)=CNC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTP4A3 O75365 2/20 0.32
PTP4A1 Q93096 2/20 0.32
PTP4A2 Q12974 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL368699 0.81 MAPT (0.35) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL524629 0.79 TSHR (0.41) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL45287 0.79 TSHR (0.41) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL9241885 0.79 TSHR (0.41) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL21427204 0.78 GLO1 (0.47) TSHRMAPTCYP3A4TDP1MEN1
SCHEMBL175302 0.78 TSHR (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL516444 0.78 GLO1 (0.47) TSHRMAPTCYP3A4TDP1MEN1
SCHEMBL15727124 0.77 TSHR (0.37) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL8632787 0.76 MAPT (0.39) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL2066539 0.76 TSHR (0.39) TSHRMAPTCACNA1BAPBA1CYP3A4

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
US-4309178-A Process for isolating sulphur dyestuffs from aqueous crude melts containing sodium polysulphide CASSELLA AKTIENGESELLSCHAFT (DE) 1982-01-05 US claimed
US-4309178-A Process for isolating sulphur dyestuffs from aqueous crude melts containing sodium polysulphide CASSELLA AKTIENGESELLSCHAFT (DE) 1982-01-05 US disclosed