Sugi Predict

Sugi Predict / Compounds / SCHEMBL6429357

SCHEMBL6429357

SCHEMBL6429357

[CH2][C@](C)(N)CCc1ccc(OCCCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.52
▸ S1PR1 P21453 8/20 0.52
▸ S1PR3 Q99500 6/20 0.52
▸ S1PR4 O95977 5/20 0.52
▸ S1PR5 Q9H228 5/20 0.52
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.47

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
SCHEMBL3511037 0.84 S1PR1 (0.59) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL3509437 0.84 S1PR1 (0.59) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL14246856 0.83 FFAR1 (0.52) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL14539807 0.82 S1PR1 (0.57) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL1625875 0.82 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL7621155 0.81 S1PR1 (0.56) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL8496107 0.81 S1PR1 (0.58) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL8497910 0.81 S1PR1 (0.58) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL8499382 0.81 S1PR1 (0.58) FFAR1S1PR1S1PR3S1PR4S1PR5
SCHEMBL8496719 0.81 S1PR1 (0.58) FFAR1S1PR1S1PR3S1PR4S1PR5

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-1377593-B1 2-AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-12-28 — — EP claimed