SCHEMBL11234798

SCHEMBL11234798

CCOC(=O)C(Oc1ccc(Cl)cc1Cl)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 1/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
PPARA Q07869 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL11717123 0.89 TSHR (0.58) SMN1; SMN2MAPTTSHRCYP1A2CYP2C9
SCHEMBL10022853 0.85 SMN1; SMN2 (0.66) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL13147651 0.85 SMN1; SMN2 (0.66) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL15797706 0.85 SMN1; SMN2 (0.66) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL11716051 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL10874945 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL10729791 0.81 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL11781765 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL27877003 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHPGDTSHRCYP1A2
SCHEMBL11722064 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTSHRCYP1A2CYP2C9

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-4348534-A Preparation of 2-aryloxy-2-haloproptonic acid compounds BASF AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4056628-A Insecticidal esters of alpha-phenoxy alkanoic acids with substituted benzyl alcohols HOFFMANN-LA ROCHE INC. (US) 1977-11-01 US disclosed