SCHEMBL9872143

SCHEMBL9872143

CC(C)(CCCCCO)C(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
FFAR1 O14842 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CPT2 P23786 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
ACLY P53396 1/20 0.35
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
ARG2 P78540 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11108473 0.98 CYP4F2 (0.41) CYP4F2CYP4A11FFAR1TDP1CPT2
SCHEMBL8037881 0.87 FFAR1 (0.40) CYP4F2CYP4A11FFAR1TDP1CPT2
SCHEMBL11166753 0.85 GPR84 (0.45) FFAR1TDP1GPR84FFAR4ALDH1A1
SCHEMBL11161811 0.85 GPR84 (0.45) FFAR1TDP1GPR84FFAR4ALDH1A1
SCHEMBL28727393 0.83 GPR84 (0.44) FFAR1TDP1GPR84FFAR4ALDH1A1
SCHEMBL9870687 0.83 FFAR1 (0.38) CYP4F2CYP4A11FFAR1TDP1CPT2
SCHEMBL28727677 0.83 GPR84 (0.44) FFAR1TDP1GPR84FFAR4ALDH1A1
SCHEMBL28727659 0.83 GPR84 (0.44) FFAR1TDP1GPR84FFAR4ALDH1A1
SCHEMBL28729115 0.83 GPR84 (0.44) FFAR1TDP1GPR84FFAR4ALDH1A1
SCHEMBL11109837 0.83 FFAR1 (0.35) FFAR1TDP1CPT2ACACBACACA

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-4997847-A Thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (DE) 1991-03-05 US disclosed
EP-0304271-A2 Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-22 EP disclosed