SCHEMBL6258129

SCHEMBL6258129

Cc1ccc(CCCOc2ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARD Q03181 1/20 0.41
PPARG P37231 3/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL6261071 0.91 FFAR1 (0.50) PPARAPPARGS1PR1S1PR3S1PR5
SCHEMBL6263977 0.88 S1PR1 (0.46) PPARAPPARDKMT2AITGB3ITGA2B
SCHEMBL6258194 0.88 S1PR1 (0.53) KMT2ACA12CA1CA2CA9
SCHEMBL6242802 0.87 PPARD (0.41) PPARAPPARDCA12CA1CA2
SCHEMBL6261341 0.87 S1PR1 (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL6236920 0.87 S1PR1 (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL6241196 0.87 S1PR1 (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL6257363 0.87 S1PR1 (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL6257966 0.83 S1PR1 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL6241770 0.83 S1PR1 (0.51) KMT2ACA12CA1CA2CA9

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