SCHEMBL23097495

SCHEMBL23097495

C#CCOCC(C)(COC#C)NC(=O)C=C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL18240012 0.93 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21236784 0.83
SCHEMBL19622520 0.83
SCHEMBL19610499 0.77 TSHR (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19622521 0.74 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21236748 0.74 TSHR (0.35)
SCHEMBL18240013 0.74 TSHR (0.39)
SCHEMBL18250963 0.70 CTSK (0.35)
SCHEMBL18250961 0.68 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL17522074 0.67 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19

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
EP-3246353-B1 USE OF SURFACTANTS TO EXTRACT A PLATINUM GROUP METAL OR GOLD FROM ORGANIC COMPOSITIONS CENTRE NAT RECH SCIENT (FR) 2021-03-17 EP disclosed