SCHEMBL2801019

SCHEMBL2801019

CCCCOCCOP(=O)(O)OCC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
TSHR P16473 2/20 0.62
LPAR3 Q9UBY5 6/20 0.42
LPAR1 Q92633 4/20 0.42
LPAR2 Q9HBW0 2/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY10 O00398 1/20 0.41
LPAR5 Q9H1C0 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL11515777 0.94 CYP3A4 (0.69) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL2520487 0.94 CYP3A4 (0.69) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17887253 0.93 LPAR3 (0.53) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17164135 0.92 CYP3A4 (0.62) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL12914745 0.90 CYP3A4 (0.63) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL14584196 0.90 TSHR (0.45) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL20466177 0.88 TSHR (0.45) CYP3A4TSHRLPAR3LPAR1LPAR2
Ammonia Solution, Strong SCHEMBL31087396 0.88 CYP3A4 (0.61) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL75907 0.88 CYP3A4 (0.56) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL29093875 0.87 TSHR (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100201939-A1 PLASTIC LENS AND METHOD OF MANUFACTURING THE SAME HOYA CORPORATION (JP) 2010-08-12 US disclosed
EP-2172792-A1 PLASTIC LENS AND METHOD OF MANUFACTURING THE SAME Hoya Corporation (JP) 2010-04-07 EP disclosed