SCHEMBL2053875

SCHEMBL2053875

CCCCCOP(=O)(F)OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.46
LPAR2 Q9HBW0 6/20 0.46
LPAR1 Q92633 4/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CDC25A P30304 1/20 0.38
AGTR1 P30556 1/20 0.38
AKT1 P31749 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
PLA2G2C Q5R387 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL1471606 0.94 CYP3A4 (0.48) LPAR3LPAR2LPAR1CYP3A4CYP2C9
SCHEMBL1470005 0.86 LMNA (0.36) CYP3A4CYP2C9TSHRCYP2C19HIF1A
SCHEMBL2459737 0.86 LPAR3 (0.58) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL3124740 0.84 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL28654083 0.84 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL25176414 0.84 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL28643430 0.84 CYP3A4 (0.58) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL3121882 0.84 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL28928062 0.84 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL28648168 0.82 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4TSHR

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-20120171542-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2012-07-05 US disclosed
US-20110159379-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2011-06-30 US disclosed