SCHEMBL8050897

SCHEMBL8050897

CCCCCCCCOCCOP(=O)(O)OC(C)(OCCCC)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
LPAR3 Q9UBY5 8/20 0.44
LPAR2 Q9HBW0 5/20 0.44
LPAR1 Q92633 4/20 0.44
LPAR5 Q9H1C0 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
PLA2G2A P14555 1/20 0.40
P2RY10 O00398 1/20 0.39
PLA2G2C Q5R387 1/20 0.38
CES2 O00748 2/20 0.36
SMPD1 P17405 2/20 0.36
PLA2G2D Q9UNK4 1/20 0.36

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
SCHEMBL19512084 0.81 LPAR3 (0.60) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL8976946 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL665394 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL30106183 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL9437010 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL5701887 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL2521046 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL18309262 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL19077685 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1
SCHEMBL2523265 0.81 LPAR3 (0.59) CYP3A4TSHRLPAR3LPAR2LPAR1

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
US-6030543-A A TRIALKOXYALKYL PHOSPHATE ESTER, A TRIALKYL PHOSPHATE OR A MIXTURE THEREOF, AND A TRIALKYL PHOSPHITE ESTER HAVING A POUR POINT OF LESS THAN-50.DEGREE. C.; EXTREME TEMPERATURE LUBRICANTS; WEAR, CORROSION AND HEAT RESISTANCES; RHEOLOGY GREAT LAKES CHEMICAL CORPORATION (US) 2000-02-29 US disclosed