SCHEMBL20193377

SCHEMBL20193377

CCCCN1CCN(C(=O)CCC(=O)OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
HRH2 P25021 5/20 0.46
HRH1 P35367 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAI1 P63096 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GPR183 P32249 1/20 0.39

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
SCHEMBL17557995 0.86 GLA (0.48) GLAHRH2HRH1L3MBTL1MEN1
SCHEMBL12259096 0.81 GLA (0.54) GLAL3MBTL1MEN1KMT2ATDP1
SCHEMBL24880677 0.81 GLA (0.49) GLAHRH2HRH1TSHRSMN1; SMN2
SCHEMBL17167936 0.80 GNAI3 (0.65) HRH2HRH1L3MBTL1MEN1KMT2A
SCHEMBL5856719 0.80 SIGMAR1 (0.55) GLAHRH2HRH1TSHRSMN1; SMN2
SCHEMBL17558012 0.79 GLA (0.57) GLAHRH2HRH1L3MBTL1MEN1
SCHEMBL17558014 0.79 GLA (0.54) GLAHRH2HRH1L3MBTL1MEN1
SCHEMBL12846943 0.78 HRH2 (0.56) HRH2HRH1ALDH1A1GPR183
SCHEMBL15781651 0.78 PAOX (0.44) HRH2HRH1TSHRSMN1; SMN2
SCHEMBL24773181 0.78 HRH2 (0.53) HRH2HRH1L3MBTL1MEN1KMT2A

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
US-9980967-B1 Method for overcoming drug resistance of EGFR mutation and cancerous stemness of human non-small cell lung carcinoma NATIONAL CHIAO TUNG UNIVERSITY (TW) 2018-05-29 US disclosed