SCHEMBL9845425

SCHEMBL9845425

C=C1C2=C(CCCC2)CN1c1cc(C(=O)OC(C)CSC)c(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 7/20 0.46
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9845461 0.83 PPOX (0.36) PPOX
SCHEMBL9845451 0.75
SCHEMBL9845424 0.74 SMN1; SMN2 (0.35) PPOXHPGDSMN1; SMN2LMNAMAPT
SCHEMBL9845431 0.74 PPOX (0.35) PPOX
SCHEMBL9845438 0.72 PPOX (0.34) PPOX
SCHEMBL9845429 0.72 PPOX (0.33) PPOX
SCHEMBL11201432 0.68 PPOX (0.45) PPOX
SCHEMBL9379708 0.67 DHODH (0.35) HPGDSMN1; SMN2LMNAMAPT
SCHEMBL9383554 0.66 HPGD (0.34) HPGDSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL9422452 0.63 HPGD (0.37) HPGDSMN1; SMN2LMNAMAPTALDH1A1

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-0420810-A2 Herbicidal agents CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed