SCHEMBL8092224

SCHEMBL8092224

CCCCCCCCCCc1n[nH]cc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
CDC25B P30305 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
RIPK1 Q13546 1/20 0.37
HCAR3 P49019 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
PSMD14 O00487 1/20 0.36
MMP2 P08253 1/20 0.36
RAD52 P43351 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL27645956 0.94 RIPK1 (0.39) CNR2HCAR2CDC25BPTPN2PTPN1
SCHEMBL716791 0.87 TSHR (0.38) RIPK1ALDH1A1MEN1KMT2ATSHR
SCHEMBL30793043 0.85 KMT2A (0.43) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL16974055 0.81 HCAR2 (0.41) HCAR2ALDH1A1KMT2ATSHRLMNA
SCHEMBL718165 0.80 TSHR (0.40) ALDH1A1KMT2ATSHRLMNA
SCHEMBL20267445 0.78 GABRP (0.50) HCAR2HCAR3PPARGPPARAALDH1A1
SCHEMBL8780450 0.77 MAPT (0.47) CDC25BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27815355 0.76 GABRP (0.42) HCAR2HCAR3MEN1KMT2ALMNA
SCHEMBL369544 0.76 NPC1 (0.39) HCAR2ALDH1A1MEN1KMT2ATSHR
SCHEMBL9291583 0.75 CNR2 (0.46) CNR2PPARGPPARAALDH1A1MEN1

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-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed