SCHEMBL9449753

SCHEMBL9449753

CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)CCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.66
FFAR4 Q5NUL3 2/20 0.63
FFAR1 O14842 2/20 0.63
TRPV1 Q8NER1 1/20 0.58
NFKB1 P19838 1/20 0.52
FAAH O00519 2/20 0.51
CYP3A4 P08684 2/20 0.50
HTR1A P08908 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
LTA4H P09960 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 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
SCHEMBL8817418 1.00 GPR84 (0.66) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL27971801 0.94 GPR84 (0.57) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL2359965 0.91 GPR84 (0.56) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL6065848 0.91 GPR84 (0.56) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL16347692 0.91 GPR84 (0.56) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL27899730 0.90 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL28173821 0.90 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL28860289 0.90 GPR84 (0.63) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL6064469 0.90 GPR84 (0.52) GPR84FFAR4FFAR1TRPV1NFKB1
SCHEMBL28057233 0.90 FFAR1 (0.64) GPR84FFAR4FFAR1FAAHCYP3A4

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
EP-0528813-A4 REGIO AND STEREOSELECTIVE SYNTHESIS OF TRIGLYCERIDES 1993-07-21 EP disclosed
EP-0528813-A1 REGIO AND STEREOSELECTIVE SYNTHESIS OF TRIGLYCERIDES THE PROCTER & GAMBLE COMPANY (US) 1993-03-03 EP disclosed
US-5116745-A Hydrolysis, acylation THE PROCTER & GAMBLE COMPANY (US) 1992-05-26 US disclosed
WO-1991016442-A1 REGIO AND STEREOSELECTIVE SYNTHESIS OF TRIGLYCERIDES THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 WO disclosed