SCHEMBL9480752

SCHEMBL9480752

CCCCN(CCCCO)c1ccc(/C=C/C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ATG4B Q9Y4P1 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
INSR P06213 1/20 0.39
AR P10275 2/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
APP P05067 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL9480747 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29952795 0.91 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3419103 0.85 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9482338 0.85 ALDH1A1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3419099 0.85 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3205697 0.82 ALDH1A1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3205693 0.82 ALDH1A1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915607 0.81 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9292039 0.80 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9292043 0.80 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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
US-5247042-A ISOTROPIC ACRYLIC POLYMER EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORP. 1993-09-21 US disclosed
WO-1991003504-A1 ACRYLIC POLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORPORATION (US) 1991-03-21 WO disclosed