SCHEMBL9686294

SCHEMBL9686294

CCC(C)(C)CCCC(C)(C)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
FFAR1 O14842 1/20 0.46
CPT2 P23786 1/20 0.46
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1781887 0.84 TDP1 (0.48) TDP1FFAR1CPT2ALDH1A1
SCHEMBL1782648 0.83
SCHEMBL1784679 0.82 FFAR1 (0.52) TDP1FFAR1CPT2
SCHEMBL8897269 0.80 FFAR1 (0.56) TDP1FFAR1CPT2
SCHEMBL19653730 0.80 TDP1 (0.46) TDP1FFAR1CPT2ALDH1A1SMN1; SMN2
SCHEMBL1782224 0.79 ALDH1A1 (0.41) TDP1FFAR1CPT2ALDH1A1
SCHEMBL1784497 0.78 TDP1 (0.41) TDP1FFAR1CPT2ALDH1A1
SCHEMBL1781497 0.77 PAOX (0.43) TDP1FFAR1CPT2ALDH1A1
SCHEMBL10264473 0.76 TDP1 (0.83) TDP1FFAR1CPT2ALDH1A1
SCHEMBL14924216 0.76 FFAR1 (0.83) TDP1FFAR1CPT2

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-0270494-B1 Certain cycloalka- [b]-pyrazolo-[3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
US-4826854-A Certain cycloalka-(b)-pyrazolo(3,4-d)-pyridin-3-one derivatives CIBA-GEIGY CORPORATION (US) 1989-05-02 US disclosed
EP-0270494-A2 Certain cycloalka- [b]-pyrazolo-[3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1988-06-08 EP disclosed