SCHEMBL24317052

SCHEMBL24317052

OCSC(O)C(S)CCCc1cc(F)ccc1O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
MPO P05164 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 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
SCHEMBL18697459 0.77 ACLY (0.36) KCNH2MPOADRB2ADRB1
SCHEMBL12397446 0.77 ACLY (0.36) KCNH2MPOADRB2ADRB1
SCHEMBL23940684 0.77 ACLY (0.36) KCNH2MPOADRB2ADRB1
SCHEMBL17011675 0.73 ACLY (0.35) KCNH2MPO
SCHEMBL17011674 0.73 ACLY (0.35) KCNH2MPO
SCHEMBL20006876 0.73 KCNH2 (0.38) KCNH2MPOADRB2ADRB1
SCHEMBL19174152 0.70 BCHE (0.42) MPO
SCHEMBL24299331 0.68 MPO (0.50) MPO
SCHEMBL12520531 0.68 TYR (0.56) MPO
SCHEMBL19174337 0.67 ADRB2 (0.45) KCNH2MPOADRB2ADRB1

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-3974419-A2 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed