SCHEMBL2121107

SCHEMBL2121107

CC(C)CC1CN(C(=O)O)CCc2cc(-c3nccs3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
GHSR Q92847 3/20 0.41
CHRM2 P08172 2/20 0.41
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
LRRK2 Q5S007 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
LTA4H P09960 1/20 0.34
RHOA P61586 1/20 0.34
CASR P41180 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
SCHEMBL2122938 0.83 SNCA (0.37) PPARDPPARA
SCHEMBL2121104 0.81 GHSR (0.41) PPARDPPARAGHSRCHRM2DPP4
SCHEMBL5669989 0.81 ESR1 (0.38)
SCHEMBL2124647 0.78 ESR1 (0.44)
SCHEMBL5672058 0.77 HRH3 (0.41) PPARDPPARAHRH3
SCHEMBL4637685 0.77 NR1H2 (0.39)
SCHEMBL2122146 0.76 S1PR1 (0.50)
SCHEMBL5170176 0.76 SLC18A2 (0.36)
SCHEMBL2122672 0.76 S1PR1 (0.49)
SCHEMBL5672111 0.75 TP53 (0.37) HRH3

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
EP-2443112-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed