SCHEMBL7124788

SCHEMBL7124788

CC/C=C/CC(O)CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FAAH O00519 2/20 0.35
FPR2 P25090 1/20 0.34
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MTOR P42345 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLIN1 O60240 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7124791 1.00 FFAR1 (0.40) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL14334996 0.92 FFAR1 (0.45) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL15201399 0.92 FFAR1 (0.45) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL3030897 0.86 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL15288651 0.86 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL3345579 0.86 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL7677562 0.86 THRB (0.42) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL28180461 0.84 FFAR1 (0.49) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL26092590 0.83 FFAR1 (0.56) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL26090214 0.83 FFAR1 (0.56) FFAR1FFAR4NFKB1NFKB2RELA

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
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed