SCHEMBL16486123

SCHEMBL16486123

CC(=O)OC1=C(OC(C)=O)C=CC[CH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
PIM1 P11309 1/20 0.31
GLA P06280 1/20 0.31
ESR1 P03372 2/20 0.31
ELANE P08246 1/20 0.31
CYP3A4 P08684 1/20 0.31
TNFSF11 O14788 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HMGB1 P09429 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GGT1 P19440 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL9372816 0.69
SCHEMBL3975421 0.67 LMNA (0.32) LMNAKDM4EALDH1A1TSHR
SCHEMBL16167274 0.67 GLA (0.33) LMNAGLAKDM4EALDH1A1TSHR
SCHEMBL1486823 0.65 LMNA (0.34) LMNAPOLBMAPTPKMPIM1
SCHEMBL3245248 0.62
SCHEMBL10362940 0.62 LMNA (0.39) LMNAPOLBMAPTPKMGLA
SCHEMBL11902996 0.60 GLA (0.33) LMNAPOLBMAPTPKMPIM1
SCHEMBL31648648 0.59
SCHEMBL20075881 0.58 PREP (0.44) LMNAPOLBMAPTPKMELANE
SCHEMBL4268111 0.58

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-3033341-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F.HOFFMANN-LA ROCHE AG (CH) 2016-06-22 EP disclosed
WO-2015022263-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 WO disclosed