SCHEMBL4623980

SCHEMBL4623980

COC(=O)NCc1cccc(C(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
MMP13 P45452 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MAOB P27338 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
ROCK2 O75116 1/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3895476 0.86 TSHR (0.66) TSHRMMP13SMN1; SMN2HPGDLMNA
SCHEMBL13135999 0.85 GLS (0.50) TSHRMMP13NR1H4
SCHEMBL8646446 0.85 HDAC1 (0.57) TSHRMMP13MAOBNR1H4CYP19A1
SCHEMBL4622955 0.84 TSHR (0.49) TSHRMMP13SMN1; SMN2LOXL2ROCK2
SCHEMBL4622952 0.84 TSHR (0.49) TSHRMMP13SMN1; SMN2LOXL2ROCK2
SCHEMBL18095346 0.83 TSHR (0.54) TSHRMMP13MAOBNR1H4CYP19A1
SCHEMBL17863562 0.81 MMP13 (0.61) TSHRMMP13SMN1; SMN2HPGDLMNA
SCHEMBL8489512 0.81 MMP13 (0.47) TSHRMMP13SMN1; SMN2MAOBLOXL2
SCHEMBL719300 0.81 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL8750992 0.80 TSHR (0.58) TSHRMMP13SMN1; SMN2HPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 EP disclosed