SCHEMBL18106953

SCHEMBL18106953

CCOC(=O)C(C(=O)OC(C)(C)C)c1ccc(Cl)nn1.CCOC(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
KMT2A Q03164 1/20 0.70
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MMP8 P22894 1/20 0.34
GAA P10253 2/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
TSHR P16473 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ABCB1 P08183 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
SCHEMBL246583 0.92 LMNA (0.84) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL31292396 0.84 KMT2A (0.89) LMNAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1806906 0.84 LMNA (1.00) LMNAKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9988878 0.83 KMT2A (0.65) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL31292576 0.78 KMT2A (0.59) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL1551107 0.76 KMT2A (0.56) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL23534866 0.72 KMT2A (0.51) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL26459091 0.71 KMT2A (0.50) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL13040072 0.71 LMNA (0.50) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL223549 0.71 GAA (0.68) LMNAALDH1A1HTTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed