SCHEMBL1012203

SCHEMBL1012203

C=C(C)C(=O)CC1CO1.CCC1(C(=O)O)OC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM3 P20309 5/20 0.36
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 3/20 0.30
ADRA1D P25100 3/20 0.30
ADRA1A P35348 3/20 0.30
ADRA1B P35368 3/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL273608 0.81 TSHR (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL4884144 0.81 TSHR (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL8876521 0.81 TSHR (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL1012204 0.74 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL979852 0.71
SCHEMBL4888244 0.70 KDM1A (0.38) ALDH1A1GAA
SCHEMBL15659315 0.70 TSHR (0.37) ALDH1A1GAA
SCHEMBL17294064 0.68 HDAC4 (0.40) ALDH1A1GAASMN1; SMN2
SCHEMBL14968287 0.67 MAPT (0.41) ALDH1A1
SCHEMBL7393851 0.66 KDM1A (0.40) ALDH1A1GAA

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-2076555-B1 METAL COORDINATING AND FILM-FORMING MATERIALS BASF CORP (US) 2011-01-05 EP disclosed