SCHEMBL31152902

SCHEMBL31152902

C=CC(=O)OC(CC)(CC)CCCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.42
LPAR2 Q9HBW0 7/20 0.42
LPAR1 Q92633 5/20 0.42
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ENPP2 Q13822 1/20 0.32
TP53 P04637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3062834 0.81 THRB (0.39) LPAR3LPAR2LPAR1TSHRHPGD
SCHEMBL128680 0.81 TSHR (0.40) LPAR3LPAR2LPAR1TSHRHPGD
SCHEMBL3247446 0.80 TSHR (0.48) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3247328 0.79 TSHR (0.47) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL5425925 0.78 LPAR3 (0.42) LPAR3LPAR2LPAR1TSHRHPGD
SCHEMBL26109220 0.77 THRB (0.36) LPAR3LPAR2LPAR1TSHRHPGD
SCHEMBL3247427 0.77 TSHR (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL15801027 0.77 THRB (0.31) TSHRTHRB
SCHEMBL1108022 0.76 THRB (0.44) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL1804830 0.76 THRB (0.37) TSHRHPGDTHRBALDH1A1CYP3A4

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-4263753-B1 FLAME-RETARDED COPOLYMERS AND MOLDING COMPOUNDS HOCHSCHULE HAMM LIPPSTADT KOERPERSCHAFT DES OEFFENTLICHEN RECHTS (DE) 2024-10-09 EP disclosed