SCHEMBL8638113

SCHEMBL8638113

COc1cc(C(=O)N2CCC(c3cccc(C)c3C)C2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 1/20 0.52
HTT P42858 3/20 0.51
KDM4E B2RXH2 2/20 0.51
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PDE2A O00408 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
PROKR1 Q8TCW9 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8636740 0.83 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2HTTKDM4E
SCHEMBL8351389 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2HTTKDM4EUBE2M
SCHEMBL8351152 0.81 ALDH1A1 (0.64) LMNAALDH1A1CYP1A2HTTKDM4E
SCHEMBL8638316 0.78 SCD5 (0.55) ALDH1A1CYP1A2HTTKDM4EUBE2M
SCHEMBL8638632 0.78 PDE4B (0.53) LMNAALDH1A1CYP1A2HTTKDM4E
SCHEMBL8355588 0.78 KMT2A (0.54) LMNANPSR1ALDH1A1CYP1A2HTT
SCHEMBL8636998 0.77 ALDH1A1 (0.65) LMNAALDH1A1CYP1A2HTTUBE2M
SCHEMBL8352641 0.77 PDE4B (0.65) LMNAKDM4EGAA
SCHEMBL8350460 0.77 ALDH1A1 (0.59) LMNAALDH1A1CYP1A2HTTKDM4E
SCHEMBL724938 0.76 ALDH1A1 (0.71) LMNAALDH1A1CYP1A2HTTKDM4E

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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed