SCHEMBL6949068

SCHEMBL6949068

CCOC(=O)[C@@H]1C[C@H](SCc2ccc(OC)cc2)CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 4/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP2D6 P10635 3/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3196017 0.85 GRIK1 (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL7143288 0.85 GRIK1 (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL5285064 0.85 GRIK1 (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL9206135 0.84 IDO1 (0.43) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8435810 0.83 IDO1 (0.45) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6769597 0.77 ALDH1A1 (0.40) KMT2AGLAALDH1A1HTTLMNA
SCHEMBL6769601 0.77 ALDH1A1 (0.40) KMT2AGLAALDH1A1HTTLMNA
SCHEMBL7142250 0.76 MAPT (0.47) KMT2AALDH1A1HTTLMNAKDM4E
SCHEMBL2923798 0.74 ALDH1A1 (0.44) KMT2AGAAALDH1A1HTTLMNA
SCHEMBL4864246 0.74 KMT2A (0.40) KMT2AKDM4ECYP2D6CYP2C19

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-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed