SCHEMBL3734502

SCHEMBL3734502

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL6905002 0.78 MMP1 (0.42) ALDH1A1TSHRKDM4ECA12CA1
SCHEMBL4077872 0.77 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EMAPTMMP2
SCHEMBL118380 0.77 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL6733222 0.77 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL14064020 0.72
SCHEMBL17661831 0.70 MAPK1 (0.44) ALDH1A1TSHRMAPTCA12CA1
SCHEMBL21541468 0.70
SCHEMBL20084578 0.70
SCHEMBL10447493 0.68 ALDH1A1 (0.41) ALDH1A1TSHRMAPTCA12CA1
SCHEMBL21396424 0.68 HPGD (0.49) ALDH1A1TSHRHPGDPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168030-A1 Methods and compositions for treatment of organophosphate-caused pathology ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2010-07-01 US disclosed
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
CN-1054261-C Plant treatment agents BAYER AGROCHEM KK (JP) 2000-07-12 CN disclosed
CN-1078850-A The method of control harmful insect BAYER AGROCHEM KK (JP) 1993-12-01 CN disclosed