SCHEMBL2121104

SCHEMBL2121104

CC(C)(C)C1CN(C(=O)O)CCc2cc(-c3nccs3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.41
CHRM2 P08172 2/20 0.41
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
RHOA P61586 1/20 0.35
ACKR3 P25106 1/20 0.35
HDAC2 Q92769 1/20 0.34
LTA4H P09960 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL2122936 0.82 SNCA (0.39)
SCHEMBL2121107 0.81 PPARD (0.44) GHSRCHRM2ABL1BCRPPARD
SCHEMBL5669983 0.80 ESR2 (0.40)
SCHEMBL2124644 0.77 ESR2 (0.45)
SCHEMBL5672055 0.76 HRH3 (0.43) GPR119HRH3
SCHEMBL4637682 0.76 NR1H2 (0.46)
SCHEMBL19638276 0.76 CAMK2A (0.41)
SCHEMBL5672109 0.74 HPGDS (0.36) GPR119
SCHEMBL2122669 0.74 S1PR1 (0.49)
SCHEMBL2122145 0.74 S1PR1 (0.51)

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