SCHEMBL9706918

SCHEMBL9706918

C=CCOC(=O)/C(=C/C(=O)O)C(C=C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 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
SCHEMBL28758734 0.77
SCHEMBL251763 0.76 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL3703146 0.74 KDM4E (0.33) TSHR
SCHEMBL5172810 0.74 KDM4E (0.33) TSHR
SCHEMBL8520109 0.71 TSHR (0.33) TDP1TSHR
SCHEMBL850325 0.70 TSHR (0.32) TDP1TSHR
SCHEMBL1075819 0.69 TSHR (0.38) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL4123042 0.69 CYP3A4 (0.36) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL1075821 0.69 TSHR (0.38) MAPTCACNA1BAPBA1CYP3A4TDP1
SCHEMBL4123048 0.69 CYP3A4 (0.36) MAPTCACNA1BAPBA1CYP3A4TDP1

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
EP-0154746-B1 METHOD OF RECOVERING DEWAXING AID (DWA) FROM MIXTURE OF WAX AND DWA BY WAX PERMEATION THROUGH SEMIPERMEABLE MEMBRANE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-12-02 EP claimed
EP-0154746-A2 Method of recovering dewaxing aid (DWA) from mixture of wax and DWA by wax permeation through semipermeable membrane EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-09-18 EP claimed