SCHEMBL9306468

SCHEMBL9306468

C=CCC(C)(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.30
MAPT P10636 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
SCHEMBL335585 0.83 MEN1 (0.30) ALDH1A1TSHR
SCHEMBL5806972 0.82 ALDH1A1 (0.32) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL10836351 0.80
SCHEMBL7632044 0.80 MAPT (0.33) MAPT
SCHEMBL3519696 0.79 KDM4E (0.31) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL10930487 0.77 MAPT (0.31) MAPT
SCHEMBL3181065 0.76 MMP8 (0.41) ALDH1A1KDM4ELMNAHSD17B10TSHR
SCHEMBL5819369 0.76 MMP8 (0.31) MAPT
SCHEMBL6450503 0.75 MAPT (0.38) ALDH1A1LMNATSHRMAPT
SCHEMBL29220165 0.75 TSHR (0.34) LMNAHPGDTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302370-A Form complexes with rhenium and technetium INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-12 US disclosed
US-4264459-A LUBRICANTS OR LUBRICANT ADDITIVES; CONTAINING RUBIDIUM OR DESIUM COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1981-04-28 US disclosed