SCHEMBL18759142

SCHEMBL18759142

CCCCCCCC=Cc1cccc(C(=O)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
MMP2 P08253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ECE1 P42892 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
MUS81 Q96NY9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
STS P08842 1/20 0.41
OXER1 Q8TDS5 1/20 0.41

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
SCHEMBL6560953 0.94 PDE5A (0.42) TDP1CES2CES1STSOXER1
SCHEMBL9506061 0.89 STS (0.51) PPARAF7F3MMP2KDM4E
SCHEMBL9504789 0.89 STS (0.51) PPARAF7F3MMP2KDM4E
SCHEMBL9504784 0.89 STS (0.51) PPARAF7F3MMP2KDM4E
SCHEMBL27557941 0.85 PPARA (0.40) PPARAF7F3MMP2KDM4E
SCHEMBL290447 0.83 TTR (0.53) STS
SCHEMBL2817107 0.83 TTR (0.53) STS
SCHEMBL290446 0.83 TTR (0.53) STS
SCHEMBL18759163 0.83 TNNC1 (0.51) PPARATDP1F7F3MMP2
SCHEMBL27690332 0.83 P4HB (0.51)

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-2822682-B1 MICROCAPSULES AND USES THEREOF FIRMENICH & CIE (CH) 2017-04-26 EP claimed