SCHEMBL10695554

SCHEMBL10695554

CCOC(=O)OC1CCCC(C2OCCO2)N1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL10694887 0.76 ALDH1A1 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL9335755 0.75 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10589156 0.75 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL9334432 0.72 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL9334512 0.71 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4014963 0.71 ALDH1A1 (0.43) ALDH1A1SOAT1
SCHEMBL2330898 0.71 ALDH1A1 (0.43) ALDH1A1SOAT1
SCHEMBL9054793 0.69 SLC6A2 (0.43) ALDH1A1SOAT1
SCHEMBL6820310 0.69 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19SOAT1
SCHEMBL2567582 0.69 SLC6A2 (0.43) ALDH1A1SOAT1

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
EP-0272594-A1 Bicyclic imides, process for their preparation and their use in crop protection HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-29 EP disclosed