SCHEMBL6686954

SCHEMBL6686954

CCC(C(=O)O)C(=O)OCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
NAAA Q02083 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
EPHX1 P07099 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7278573 0.84 NAAA (0.50) NAAAHCAR2EPHX1TSHR
SCHEMBL28990192 0.84 ACHE (0.38) ACHETSHR
SCHEMBL8010937 0.82 ACHE (0.40) ACHEGPR84FFAR1FFAR4TSHR
SCHEMBL11876606 0.82 ALDH1A1 (0.52) ACHENAAAHCAR2EPHX1TSHR
Ethylmalonate SCHEMBL31396325 0.81 GPR84 (0.46) GPR84FFAR1FFAR4TSHR
SCHEMBL14739496 0.80 ACHE (0.37) ACHECYP4F2CYP4A11GPR84FFAR1
Ammonia Solution, Strong SCHEMBL28672307 0.80 ALDH1A1 (0.50) ACHENAAAHCAR2EPHX1TSHR
Ethylmalonate SCHEMBL30720824 0.79 SMN1; SMN2 (0.43) GPR84FFAR1FFAR4TSHR
SCHEMBL2529447 0.78 ACHE (0.47) ACHENAAACYP4F2CYP4A11EPHX1
SCHEMBL2530032 0.78 ACHE (0.47) ACHENAAACYP4F2CYP4A11EPHX1

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
EP-0970137-B9 COATING, ADHESIVE AND SEALANT COMPOSITIONS INT COATINGS LTD (GB) 2004-09-15 EP disclosed
US-6521716-B1 Coating, adhesive and sealant compositions AKZO NOBEL N.V. (NL) 2003-02-18 US disclosed
EP-0970137-B1 COATING, ADHESIVE AND SEALANT COMPOSITIONS INT COATINGS LTD (GB) 2002-06-12 EP disclosed