SCHEMBL9328623

SCHEMBL9328623

OCC1C2C=C[C@@H](CC2)[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3834797 1.00 POLB (0.38) POLBAPEX1TDP1
SCHEMBL20239716 0.94
SCHEMBL5050260 0.81 USP2 (0.33) TDP1
SCHEMBL16704820 0.81 USP2 (0.33) TDP1
SCHEMBL16705142 0.81 USP2 (0.33) TDP1
SCHEMBL14619008 0.81 USP2 (0.33) TDP1
SCHEMBL1480357 0.81 USP2 (0.33) TDP1
SCHEMBL659852 0.81 USP2 (0.33) TDP1
SCHEMBL19619081 0.81 USP2 (0.33) TDP1
SCHEMBL7139438 0.81 USP2 (0.33) TDP1

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
EP-0422768-B1 Optically active monoester compounds and producing same CHISSO CORP (JP) 1994-03-16 EP claimed
JP-3127756-A None JP disclosed
JP-H03127756-A OPTICALLY ACTIVE MONOESTER COMPOUND AND PRODUCTION THEREOF CHISSO CORP 1991-05-30 JP disclosed