SCHEMBL9504431

SCHEMBL9504431

N#CCc1cccc2c1CC[CH]2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL154243 0.76 GABRA1 (0.40) ALDH1A1HPGDKDM4E
SCHEMBL9159294 0.73 HTR2B (0.37) ALDH1A1KDM4E
SCHEMBL19357336 0.69 BCL2L1 (0.46) ALDH1A1HPGDKDM4E
SCHEMBL5690937 0.69 BCL2L1 (0.41) ALDH1A1HPGD
SCHEMBL1861726 0.68 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ETDP1
SCHEMBL26923247 0.67 PARP1 (0.38) ALDH1A1HPGD
SCHEMBL6076550 0.67 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL29809738 0.66 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ETDP1
SCHEMBL1945874 0.66 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ETDP1
SCHEMBL3533548 0.66 LMNA (0.49) 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-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