SCHEMBL8985405

SCHEMBL8985405

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
MAPT P10636 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL481575 0.85 MAPT (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL15641518 0.82 MAPT (0.43) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL29220303 0.82 TSHR (0.44) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL28992610 0.79 TSHR (0.41) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL28992620 0.79 TSHR (0.41) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL3358255 0.78 ALOX15 (0.48) TSHRMAPTALDH1A1HSD17B10TDP1
SCHEMBL655218 0.78 TSHR (0.41) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL9003084 0.78 ALOX15 (0.48) TSHRMAPTALDH1A1HSD17B10TDP1
SCHEMBL28992611 0.78 TSHR (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL28992617 0.78 TSHR (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561264-A Liquid-type developing device MINOLTA CO., LTD. (JP) 1996-10-01 US disclosed
EP-0225097-B1 TWO COMPONENT COATING COMPOSITION OF AN ANHYDRIDE CONTAINING POLYMER AND A GLYCIDYL COMPONENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-11 EP disclosed
EP-0225097-A2 Two component coating composition of an anhydride containing polymer and a glycidyl component E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-10 EP disclosed