SCHEMBL5453720

SCHEMBL5453720

CCCC/C(C(=O)O)=C(\C(=O)O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
THRB P10828 1/20 0.47
PGGT1B P53609 1/20 0.47
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 1/20 0.38
TP53 P04637 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
TSHR P16473 2/20 0.37
GPR84 Q9NQS5 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL3518737 0.88 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL3518731 0.88 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL10884141 0.84 FNTA (0.44) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL3515208 0.80 FNTA (0.58) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL3513703 0.80 FNTA (0.58) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL3513705 0.80 FNTA (0.58) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL3515211 0.80 FNTA (0.58) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL180490 0.79 FNTA (0.60) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL555771 0.79 FNTA (0.60) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL180491 0.79 FNTA (0.60) FNTAFNTBTHRBPGGT1BCES2

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-20070043205-A1 Radiation curable thiol-ene composition DSM IP ASSETS B.V. (NL) 2007-02-22 US disclosed
EP-1477511-A1 Radiation curable thiol-ene composition DSM IP Assets B.V. (NL) 2004-11-17 EP disclosed