SCHEMBL8636740

SCHEMBL8636740

COc1cc(C(=O)N2CCC(c3ccccc3Cl)C2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
UBE2M P61081 1/20 0.54
DCUN1D1 Q96GG9 1/20 0.54
GAA P10253 1/20 0.54
PROKR1 Q8TCW9 2/20 0.53
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PDE2A O00408 1/20 0.48

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
SCHEMBL8351389 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL8351152 0.84 ALDH1A1 (0.64) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL8638113 0.83 LMNA (0.60) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL8347627 0.82 PDE4B (0.53) ALDH1A1CYP1A2UBE2MDCUN1D1GAA
SCHEMBL8640542 0.82 PDE4B (0.56) ALDH1A1CYP1A2UBE2MDCUN1D1GAA
SCHEMBL8638632 0.81 PDE4B (0.53) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL724938 0.79 ALDH1A1 (0.71) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL8352641 0.78 PDE4B (0.65) KDM4EGAALMNA
SCHEMBL8636998 0.78 ALDH1A1 (0.65) ALDH1A1CYP1A2HTTUBE2MDCUN1D1
SCHEMBL8350460 0.78 ALDH1A1 (0.59) ALDH1A1CYP1A2MEN1KMT2AKDM4E

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