SCHEMBL9456100

SCHEMBL9456100

N#Cc1ccc2c(c1)C(O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
PGR P06401 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
IDO1 P14902 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDO2 P48775 1/20 0.44
PNMT P11086 1/20 0.42
KDM1A O60341 2/20 0.41
LRRK2 Q5S007 2/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL2818458 0.90 PGR (0.48) DRD2DRD3PGRCYP11B1CYP11B2
SCHEMBL1029126 0.86 PGR (0.56) DRD2DRD3PGRCYP11B1CYP11B2
SCHEMBL29741231 0.86 PGR (0.56) DRD2DRD3PGRCYP11B1CYP11B2
SCHEMBL23793044 0.86 PGR (0.56) DRD2DRD3PGRCYP11B1CYP11B2
SCHEMBL9455945 0.86 PGR (0.56) DRD2DRD3PGRCYP11B1CYP11B2
SCHEMBL23100772 0.82 CHRM4 (0.38) DRD2DRD3PGRCYP11B1CYP11B2
SCHEMBL24593570 0.80 DRD2 (0.50) DRD2DRD3CYP11B1CYP11B2IDO1
SCHEMBL16906757 0.80 DRD2 (0.50) DRD2DRD3CYP11B1CYP11B2IDO1
SCHEMBL5274340 0.79 KDM1A (0.47) DRD2DRD3CYP11B1CYP11B2IDO1
SCHEMBL26962563 0.79 KDM1A (0.47) DRD2DRD3CYP11B1CYP11B2IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357742-A1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES. ROUSSEL UCLAF (FR) 1990-03-14 EP claimed
WO-1989008096-A1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1989-09-08 WO claimed
EP-0357742-B1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1993-06-09 EP disclosed
US-5180741-A Insecticides ROUSSEL UCLAF (FR) 1993-01-19 US disclosed
EP-0357742-A1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES. ROUSSEL UCLAF (FR) 1990-03-14 EP disclosed
WO-1989008096-A1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1989-09-08 WO disclosed