SCHEMBL6013494

SCHEMBL6013494

COC(Cc1ncc[nH]1)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 10/20 0.41
TXN P10599 1/20 0.40
TXNRD1 Q16881 1/20 0.40
HTR1A P08908 1/20 0.39
TERT O14746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FDPS P14324 1/20 0.36
TBXAS1 P24557 2/20 0.35

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
SCHEMBL7304751 0.78 TAAR1 (0.37) ALOX15TAAR1TXNTXNRD1HTR1A
SCHEMBL233107 0.77
SCHEMBL10448528 0.77 TAAR1 (0.42) ALOX15TAAR1TXNTXNRD1HTR1A
Hydrochloric Acid SCHEMBL26696102 0.75 TAAR1 (0.47) ALOX15TAAR1TXNTXNRD1HTR1A
Hydrochloric Acid SCHEMBL28795928 0.75 TAAR1 (0.47) ALOX15TAAR1TXNTXNRD1HTR1A
Hydrochloric Acid SCHEMBL28589773 0.75 TAAR1 (0.47) ALOX15TAAR1TXNTXNRD1HTR1A
SCHEMBL5692374 0.73
SCHEMBL6272104 0.73
SCHEMBL1665687 0.73
SCHEMBL30096037 0.73 TXN (0.44) ALOX15TAAR1TXNTXNRD1HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790161-A Pyrazolopyridine derivatives having GLP-1 receptor agonist action 中外制药株式会社 2019-05-21 CN disclosed
EP-1718201-A1 SUBSTITUTED PORPHYRINS Duke University (US) 2006-11-08 EP disclosed
WO-2005077269-A1 SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2005-08-25 WO disclosed