SCHEMBL6905002

SCHEMBL6905002

CC(C)NC(=O)CSP(=O)(O)S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL3734502 0.78 ALDH1A1 (0.44) MMP1MMP2CA12CA1CA2
SCHEMBL984628 0.78 ALDH1A1 (0.50) MMP2MMP8ALDH1A1KDM4EKMT2A
SCHEMBL14064020 0.70
SCHEMBL20084578 0.69
SCHEMBL21541468 0.69
SCHEMBL17661831 0.69 MAPK1 (0.44) MMP1MMP2CA12CA1CA2
SCHEMBL9204263 0.69 ENO1 (0.52) MMP1MMP2CA12CA1CA2
SCHEMBL6733222 0.68 ALDH1A1 (0.71) ALDH1A1HPGDPOLBTSHRSMN1; SMN2
SCHEMBL118380 0.68 ALDH1A1 (0.71) ALDH1A1HPGDPOLBTSHRSMN1; SMN2
SCHEMBL11224289 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315421-B1 ORGANOPHOSPHOROUS COMPOSITIONS BASF CORP (US) 2004-06-02 EP disclosed
EP-1315421-A2 ORGANOPHOSPHOROUS COMPOSITIONS BASF CORPORATION (US) 2003-06-04 EP disclosed
US-6566349-B1 Applying blend of the insecticide with fatty acid containing crop oil concentrate for controlling insect populations of the lepidopteran order in crops BASF CORPORATION 2003-05-20 US disclosed
WO-2002017721-A2 ORGANOPHOSPHOROUS COMPOSITIONS BASF CORPORATION (US) 2002-03-07 WO disclosed