SCHEMBL29115757

SCHEMBL29115757

CC(C)CCCCC(=O)O.CCCCNCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.55
FFAR4 Q5NUL3 2/20 0.53
FFAR1 O14842 2/20 0.53
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL11417162 0.89 KDM4C (0.57) PLA2G10FFAR4FFAR1GPR84PPARG
SCHEMBL11424767 0.85 KDM4C (0.53) PLA2G10FFAR4FFAR1TSHRALDH1A1
SCHEMBL9259836 0.85 KDM4C (0.53) PLA2G10FFAR4FFAR1GPR84PPARG
Myristic Acid SCHEMBL483608 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Dodecanoate SCHEMBL20394137 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Palmitic Acid SCHEMBL11519205 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Palmitic Acid SCHEMBL8408025 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Myristic Acid SCHEMBL7030694 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Octane SCHEMBL6150889 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG
Octanoic Acid SCHEMBL20394180 0.85 FFAR4 (0.71) FFAR4FFAR1AKR1B1GPR84PPARG

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
CN-116855296-A Gas-phase rust preventive oil and preparation method and application thereof 中国石油化工股份有限公司 2023-10-10 CN claimed
CN-116855296-B Gas-phase rust preventive oil and preparation method and application thereof 中国石油化工股份有限公司 2024-11-26 CN disclosed
CN-116855296-A Gas-phase rust preventive oil and preparation method and application thereof 中国石油化工股份有限公司 2023-10-10 CN disclosed