SCHEMBL28067367

SCHEMBL28067367

C=CN1CCCC1=O.CCCCCCC(O)CCCCCCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.56
FFAR1 O14842 2/20 0.56
PTGER4 P35408 9/20 0.52
PTGER3 P43115 8/20 0.52
PTGER2 P43116 7/20 0.52
TBXA2R P21731 1/20 0.45
PTGFR P43088 1/20 0.45
PTGER1 P34995 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 1/20 0.42
GPR84 Q9NQS5 3/20 0.40

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
Stearic Acid SCHEMBL17498239 0.92 GPR84 (0.47) FFAR4FFAR1ALDH1A1LMNAPOLB
Palmitic Acid SCHEMBL28297877 0.92 GPR84 (0.47) FFAR4FFAR1ALDH1A1LMNAPOLB
Stearic Acid SCHEMBL8526358 0.85 GPR84 (0.41) FFAR4FFAR1ALDH1A1TDP1GPR84
Hexadecane SCHEMBL369966 0.81 ALOX5 (0.42) ALDH1A1LMNAFAAH
SCHEMBL22973525 0.81 ALOX5 (0.42) ALDH1A1LMNAFAAH
Stearic Acid SCHEMBL28219681 0.79 FABP3 (0.44) FAAH
SCHEMBL28037946 0.77 ALOX5 (0.33) LMNAFAAH
Propionic Acid SCHEMBL28130435 0.77 LMNA (0.39) ALDH1A1LMNA
Propene SCHEMBL14817382 0.77 FFAR4 (0.83) FFAR4FFAR1ALDH1A1TDP1FAAH
Ethylene SCHEMBL1147680 0.75 FFAR4 (0.92) FFAR4FFAR1ALDH1A1TDP1GPR84

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
CN-103602137-B Printing ink cleaning agent of a kind of novelty and preparation method thereof ANHUI BENSE PRINTING CO., LTD. (CN) 2016-05-25 CN disclosed