SCHEMBL21553522

SCHEMBL21553522

CCCOCCOCCOP(=O)(O)CC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
LPAR3 Q9UBY5 7/20 0.38
LPAR1 Q92633 5/20 0.38
LPAR2 Q9HBW0 3/20 0.38
LPAR5 Q9H1C0 1/20 0.36
PPARD Q03181 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.31

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
SCHEMBL15429049 1.00 CYP3A4 (0.47) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17342350 0.87 TSHR (0.42) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL777791 0.86
SCHEMBL18686721 0.86 PPARD (0.42) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17626507 0.84 LPAR3 (0.41) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17626482 0.84 MEN1 (0.42) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17626598 0.84 LPAR3 (0.41) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL10138513 0.82 LPAR3 (0.56) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2046368 0.82 LPAR3 (0.56) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2522278 0.82 CYP3A4 (0.50) CYP3A4TSHRLPAR3LPAR1LPAR2

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-2895200-B1 MULTIMERIC OLIGONUCLEOTIDE COMPOUNDS TRANSLATE BIO MA INC (US) 2019-11-06 EP disclosed