SCHEMBL28077972

SCHEMBL28077972

CCCCC/C=C\C/C=C\CCCCCC1OC1(C(C)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
PPARG P37231 5/20 0.49
F7 P08709 4/20 0.49
F3 P13726 4/20 0.49
PPARD Q03181 4/20 0.49
PPARA Q07869 4/20 0.49
KDM4E B2RXH2 4/20 0.49
FFAR1 O14842 3/20 0.49
FABP3 P05413 3/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP19A1 P11511 2/20 0.49
FABP4 P15090 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 2/20 0.49
PTGS1 P23219 2/20 0.49
AKR1C3 P42330 2/20 0.49
NR4A2 P43354 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL28300176 0.87 ALDH1A1 (0.54) ALDH1A1PPARGF7F3PPARD
SCHEMBL27999318 0.86 ALDH1A1 (0.43) ALDH1A1PPARGF7F3PPARD
SCHEMBL11592507 0.79 ALDH1A1 (0.49) ALDH1A1PPARGF7F3PPARD
SCHEMBL28046342 0.74 TERT (0.45) PPARGF7F3PPARDPPARA
SCHEMBL670063 0.74 TERT (0.45) ALDH1A1PPARGF7F3PPARD
SCHEMBL670062 0.74 TERT (0.45) ALDH1A1PPARGF7F3PPARD
Bicarbonate SCHEMBL8442057 0.71 PPARG (0.77) ALDH1A1PPARGF7F3PPARD
SCHEMBL2565596 0.71 MAPT (0.56) ALDH1A1PPARGF7F3PPARD
Acetic Acid SCHEMBL30819416 0.70 ALDH1A1 (0.68) ALDH1A1PPARGF7F3PPARD
Acetic Acid SCHEMBL4487303 0.69 TERT (0.72) PPARGF7F3PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220919-A A kind of low smoke and zero halogen oil resistant 1E type used in nuclear power station K3 level communication removal cable 赵俊 2016-12-14 CN claimed
CN-106318267-A Adhesive for wooden furniture 桐乡市美意家具有限公司 2017-01-11 CN disclosed
CN-106046600-A Impact-resistant polyvinyl chloride pipe 安徽正石新型建材有限公司 2016-10-26 CN disclosed
CN-105860238-A Anti-impact flame-retardant cable material 安徽万泰电缆有限公司 2016-08-17 CN disclosed