SCHEMBL4622955

SCHEMBL4622955

CON=C(C)c1cccc(CNC(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HPGD P15428 2/20 0.48
MMP13 P45452 1/20 0.47
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ROCK2 O75116 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL4622952 1.00 TSHR (0.49) TSHRHPGDMMP13HIF1ASMN1; SMN2
SCHEMBL4623980 0.84 TSHR (0.55) TSHRHPGDMMP13SMN1; SMN2ROCK2
SCHEMBL3895476 0.80 TSHR (0.66) TSHRHPGDMMP13SMN1; SMN2LMNA
SCHEMBL8449043 0.77 PPARG (0.43) HIF1ALMNALOXL2NPC1RAB9A
SCHEMBL17863562 0.75 MMP13 (0.61) TSHRHPGDMMP13SMN1; SMN2HDAC1
SCHEMBL8257957 0.74 TSHR (0.58) TSHRHPGDMMP13SMN1; SMN2ROCK2
SCHEMBL8750992 0.74 TSHR (0.58) TSHRHPGDMMP13SMN1; SMN2LMNA
SCHEMBL13450827 0.73 TSHR (0.57) TSHRHPGDMMP13SMN1; SMN2ROCK2
SCHEMBL13037029 0.73 TSHR (0.57) TSHRMMP13SMN1; SMN2LOXL2ALDH1A1
SCHEMBL6228914 0.73 LMNA (0.58) TSHRHPGDSMN1; SMN2LMNANPC1

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