SCHEMBL27766971

SCHEMBL27766971

O=C(O)C=CC(O)C(O)CCCCCCC=CCCCCO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 2/20 0.35
FPR2 P25090 2/20 0.35
GPR132 Q9UNW8 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL21552032 0.92 FPR2 (0.39) FFAR1FFAR4PTPN1FPR2NFKB1
SCHEMBL1506635 0.92 FPR2 (0.39) FFAR1FFAR4PTPN1FPR2NFKB1
SCHEMBL7639740 0.83 TBXAS1 (0.39) FFAR1FFAR4TRPV1TRPM8PTPN1
SCHEMBL29266508 0.83 TBXAS1 (0.39) FFAR1FFAR4TRPV1TRPM8PTPN1
SCHEMBL15287222 0.82 SLC15A1 (0.34) FFAR1FFAR4PTPN1FPR2NFKB1
SCHEMBL2228459 0.81 ACHE (0.46) FFAR1FFAR4PTPN1ALDH1A1MAPT
SCHEMBL28080055 0.79 FPR2 (0.48) FFAR1FFAR4PPARGFPR2GPR132
SCHEMBL4566258 0.79 FPR2 (0.48) FFAR1FFAR4PPARGFPR2GPR132
SCHEMBL16797495 0.77 ACHE (0.58) ALDH1A1MAPTPPARGGPR132
SCHEMBL28394802 0.77 FFAR1 (0.39) FFAR1FFAR4TRPV1TRPM8PTPN1

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
CN-101570481-B Polyhydroxy long-chain fatty acid, separation and extraction method thereof and application thereof in inhibiting the activity of aromatizing enzyme SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2012-02-01 CN disclosed
CN-101570481-A Polyhydroxy long-chain fatty acid, separation and extraction method thereof and application thereof in inhibiting the activity of aromatizing enzyme SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 CN disclosed