SCHEMBL9110451

SCHEMBL9110451

O=P(O)(O)C(F)(F)CCCCCBr

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.64
LPAR3 Q9UBY5 1/20 0.64
GGPS1 O95749 6/20 0.38
FDPS P14324 10/20 0.36
PNP P00491 3/20 0.35
SMPD1 P17405 2/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34

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
SCHEMBL9109027 0.98 LPAR1 (0.61) LPAR1LPAR3GGPS1FDPSPNP
SCHEMBL193245 0.78 LPAR1 (1.00) LPAR1LPAR3GGPS1FDPSSMPD1
SCHEMBL1533943 0.76 LPAR1 (0.96) LPAR1LPAR3GGPS1FDPSSMPD1
SCHEMBL6666067 0.76 FDPS (0.63) LPAR1LPAR3GGPS1FDPSSMPD1
SCHEMBL9514697 0.75 LPAR1 (0.46) LPAR1LPAR3GGPS1FDPS
SCHEMBL8743575 0.75 LPAR1 (0.59) LPAR1LPAR3GGPS1FDPSPNP
SCHEMBL1533877 0.73 LPAR1 (0.83) LPAR1LPAR3GGPS1FDPSSMPD1
SCHEMBL6666195 0.73 FDPS (0.61) GGPS1FDPS
SCHEMBL6154740 0.73 LPAR1 (0.57) LPAR1LPAR3GGPS1FDPSPNP
SCHEMBL1527593 0.71 PNP (0.42) LPAR1LPAR3PNP

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-2459216-A2 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed