Sugi Predict

Sugi Predict / Compounds / SCHEMBL1489005

SCHEMBL1489005

SCHEMBL1489005

CCCCN(C(=O)c1cc(C)ccc1Cl)c1nnc(-c2cc(C)c(OCCN3CCC(C(=O)O)CC3)c(C)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 18/20 0.59
▸ S1PR3 Q99500 5/20 0.54
▸ S1PR4 O95977 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL1489244 0.99 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL1488953 0.93 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1490276 0.91 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL1489267 0.90 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488877 0.90 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489261 0.90 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL1490127 0.90 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL1489051 0.90 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488892 0.89 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489168 0.89 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5

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
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 — — WO claimed
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 — — WO disclosed