SCHEMBL7886293

SCHEMBL7886293

O=C1C=C(CCO)C(=O)C(CCO)=C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.37
▸ PTGS2 P35354 4/20 0.37
▸ GLS2 Q9UI32 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL5712776 0.78 ALOX5 (0.31) ALOX5PTGS2GLS2
SCHEMBL5712758 0.75 ACHE (0.53) —
Water SCHEMBL10597680 0.73 ACHE (0.52) —
SCHEMBL10734325 0.72 PIM1 (0.39) ALOX5PTGS2GLS2
SCHEMBL7754752 0.72 ACHE (0.33) —
SCHEMBL8846303 0.70 ALOX5 (0.61) ALOX5PTGS2GLS2CA2
SCHEMBL27186631 0.69 ALOX5 (0.42) ALOX5
SCHEMBL26072897 0.69 ALOX5 (0.70) ALOX5PTGS2GLS2
SCHEMBL3286708 0.68 ALOX5 (0.38) ALOX5PTGS2GLS2
SCHEMBL30673380 0.68 S100A4 (0.53) —

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
US-6169157-B1 Method for producing semi-rigid compact or cellular shaped bodies with a PUR base and the stabilization thereof; shaped bodies produced according to said method and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2001-01-02 — — US disclosed
Send feedback