SCHEMBL9506611

SCHEMBL9506611

O=C(O)Cc1cccc2c1CCC2O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.42
AKR1B1 P15121 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 1/20 0.38
KMT2A Q03164 1/20 0.38
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
POLL Q9UGP5 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL21456844 0.83 ACHE (0.47) TBXA2RAKR1B1TDP1FFAR1DUSP3
SCHEMBL1508764 0.81 POLL (0.43) FFAR1KMT2APOLLADRA1A
SCHEMBL17571276 0.81 POLL (0.43) FFAR1KMT2APOLLADRA1A
SCHEMBL1508337 0.81 POLL (0.43) FFAR1KMT2APOLLADRA1A
SCHEMBL9455939 0.79 KMT2A (0.37) KMT2APOLLADRA1A
SCHEMBL9456041 0.79 KMT2A (0.37) KMT2APOLLADRA1A
SCHEMBL28950294 0.77 KMT2A (0.38) FFAR1KMT2APOLLADRA1A
SCHEMBL9456077 0.75 HTR2A (0.43) KMT2APOLLADRA1A
SCHEMBL5666214 0.75 DRD2 (0.42) POLLKDM4EMAPTALBADRA1A
SCHEMBL357814 0.74 GABRA1 (0.42) AKR1B1KMT2APOLLKDM4ECYP1A2

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 5 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
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