SCHEMBL8898949

SCHEMBL8898949

CC(=O)CCCCCCCCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.52
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.41
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.36
SLC15A2 Q16348 1/20 0.36
GAA P10253 1/20 0.34
ACLY P53396 1/20 0.34
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL26042660 1.00 PAOX (0.52) PAOXALDH1A1ACHEFFAR1CPT2
SCHEMBL9386368 1.00 PAOX (0.52) PAOXALDH1A1ACHEFFAR1CPT2
SCHEMBL5819774 1.00 PAOX (0.52) PAOXALDH1A1ACHEFFAR1CPT2
SCHEMBL1785870 1.00 PAOX (0.52) PAOXALDH1A1ACHEFFAR1CPT2
SCHEMBL1784240 0.97 PAOX (0.48) PAOXALDH1A1ACHEFFAR1CPT2
SCHEMBL8733126 0.91 TSHR (0.50) PAOXALDH1A1FFAR1CPT2TDP1
SCHEMBL1781286 0.90 ALDH1A1 (0.47) PAOXALDH1A1ACHEFFAR1CPT2
SCHEMBL15457430 0.82 KMT2A (0.44) ALDH1A1FFAR1CPT2TDP1LMNA
Acetic Acid SCHEMBL5512501 0.81 TSHR (0.55) ALDH1A1FFAR1CPT2TDP1LMNA
Acetic Acid SCHEMBL27747008 0.81 TSHR (0.55) ALDH1A1FFAR1CPT2TDP1LMNA

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-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed