SCHEMBL8022353

SCHEMBL8022353

CCC(S)c1ccccc1CNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
PPARG P37231 1/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
Alcohol SCHEMBL11794836 0.86 ALDH1A1 (0.43) ALDH1A1HPGDPPARGKMT2AHTT
SCHEMBL204644 0.84 TSHR (0.49) ALDH1A1HPGDPPARGKMT2AHTT
SCHEMBL946036 0.81 HPGD (0.47) ALDH1A1HPGDKMT2AHTTGAA
SCHEMBL7525055 0.80 TSHR (0.45) ALDH1A1HPGDPPARGKMT2AHTT
SCHEMBL4955843 0.79 HPGD (0.45) ALDH1A1HPGDKMT2AHTTGAA
SCHEMBL17007830 0.77 GUCY1B2 (0.44) ALDH1A1HPGDKMT2AHTTGAA
SCHEMBL27682450 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AHTTGAA
SCHEMBL29935885 0.76 CYP1A2 (0.55) ALDH1A1HPGDKMT2AHTTGAA
SCHEMBL9156343 0.76 CYP1A2 (0.55) ALDH1A1HPGDKMT2AHTTGAA
Hydrochloric Acid SCHEMBL11157053 0.74 CYP1A2 (0.53) ALDH1A1HPGDKMT2AHTTGAA

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
EP-0975586-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION Sumitomo Chemical Company, Limited (JP) 2000-02-02 EP disclosed
WO-1998045254-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-15 WO disclosed