SCHEMBL9939183

SCHEMBL9939183

C[C@H](c1ccccc1)N1C[C@H](C(=O)OC(C)(C)C)C(O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 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
SCHEMBL13771769 0.86 KMT2A (0.48) KMT2AMAPK1HSD11B1ALDH1A1CYP2C9
SCHEMBL4748013 0.86 KMT2A (0.48) KMT2AMAPK1HSD11B1ALDH1A1CYP2C9
SCHEMBL13770629 0.86 KMT2A (0.48) KMT2AMAPK1HSD11B1ALDH1A1CYP2C9
SCHEMBL14310833 0.78 KMT2A (0.41) KMT2AALDH1A1CHRM2CHRM4CHRM5
SCHEMBL739505 0.78 KMT2A (0.71) KMT2AMAPK1HPGD
SCHEMBL14310707 0.78 KMT2A (0.71) KMT2AMAPK1HPGD
SCHEMBL9428951 0.78 KMT2A (0.71) KMT2AMAPK1HPGD
SCHEMBL4791304 0.78 KMT2A (0.43) KMT2AMAPK1
SCHEMBL10514993 0.76 KMT2A (0.52) KMT2AMAPK1HSD11B1ALDH1A1HPGD
SCHEMBL4748087 0.73 KMT2A (0.48) KMT2AMAPK1ALDH1A1CYP2C9

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-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed