SCHEMBL6242802

SCHEMBL6242802

CC(C)(C)OC(=O)NC(CO)(CO)CCc1ccc(OCCCCc2ccc(Br)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL6263977 0.90 S1PR1 (0.46) PPARDPPARACA12CA1CA2
SCHEMBL6258194 0.88 S1PR1 (0.53) CA12CA1CA2CA9S1PR4
SCHEMBL6240149 0.88 PPARD (0.46) PPARDPPARALTB4RLTB4R2CA12
SCHEMBL6241196 0.87 S1PR1 (0.55) CA12CA1CA2CA9S1PR4
SCHEMBL6258129 0.87 PPARA (0.41) PPARDPPARACA12CA1CA2
SCHEMBL6261071 0.87 FFAR1 (0.50) PPARAS1PR1S1PR3S1PR5
SCHEMBL6261341 0.87 S1PR1 (0.55) CA12CA1CA2CA9S1PR4
SCHEMBL6257363 0.87 S1PR1 (0.55) CA12CA1CA2CA9S1PR4
SCHEMBL6236920 0.87 S1PR1 (0.55) CA12CA1CA2CA9S1PR4
SCHEMBL7708027 0.85 FFAR1 (0.48) S1PR4S1PR1S1PR3S1PR5

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
WO-2005014603-A1 PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed