SCHEMBL17296602

SCHEMBL17296602

O=C(O)CC(CCCO)(CCCO)CCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CAMK2A Q9UQM7 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CPT2 P23786 1/20 0.41
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ARG2 P78540 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32

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
SCHEMBL540585 0.90 FFAR1 (0.42) FFAR1GPR84FFAR4CAMK2ATDP1
SCHEMBL2346124 0.77 TDP1 (0.44) FFAR1GPR84FFAR4TDP1CPT2
SCHEMBL13399526 0.77 GPR84 (0.56) FFAR1GPR84FFAR4CAMK2AALDH1A1
SCHEMBL5524326 0.77 FFAR1 (0.50) FFAR1GPR84FFAR4CAMK2ATDP1
SCHEMBL11654576 0.75 TDP1 (0.48) FFAR1GPR84FFAR4TDP1CPT2
SCHEMBL8570387 0.75 FFAR1 (0.74) FFAR1GPR84FFAR4CAMK2ATDP1
SCHEMBL2930714 0.74 LMNA (0.50) FFAR1GPR84FFAR4CAMK2ATDP1
SCHEMBL23271630 0.73 FFAR1 (0.41) FFAR1GPR84FFAR4CAMK2ATDP1
SCHEMBL11104448 0.73 FFAR1 (0.78) FFAR1GPR84FFAR4CAMK2ATDP1
SCHEMBL6859283 0.73 FFAR1 (0.41) FFAR1GPR84FFAR4CAMK2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed