SCHEMBL20039910

SCHEMBL20039910

CCCCC/C=C\CC(O)CCCCCCCCC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.78
FFAR4 Q5NUL3 2/20 0.78
FAAH O00519 4/20 0.67
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TERT O14746 3/20 0.51
PTPN1 P18031 3/20 0.51
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 2/20 0.51
CYP2C19 P33261 2/20 0.51
BLM P54132 2/20 0.51
HSD17B10 Q99714 2/20 0.51
FABP4 P15090 2/20 0.51
KMT2A Q03164 2/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL26393254 1.00 FFAR1 (0.78) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL26868694 1.00 FFAR1 (0.78) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL13352197 1.00 FFAR1 (0.78) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL17081145 0.95 FFAR1 (0.71) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL5178235 0.92 FFAR1 (0.71) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL9607096 0.91 FFAR1 (0.70) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL30132313 0.89 FFAR1 (0.81) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL17743937 0.89 FFAR1 (0.81) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL17743940 0.89 FFAR1 (0.81) FFAR1FFAR4FAAHNFKB1NFKB2
SCHEMBL17743935 0.89 FFAR1 (0.81) FFAR1FFAR4FAAHNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305757-A1 10-HYDROXY-CIS-12-OCTADECENOIC ACID ALKYL ESTER AND USE THEREOF Nitto Pharmaceutical Industries, Ltd. (JP) 2018-04-11 EP disclosed