SCHEMBL7672017

SCHEMBL7672017

CCCOC(=O)CC(N)CS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
POLB P06746 4/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP14 P50281 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7672556 0.90 NAAA (0.39) NPC1POLBALDH1A1GAALMNA
SCHEMBL7674078 0.87 LMNA (0.42) ALDH1A1GAALMNAHSD11B1
SCHEMBL5720928 0.75 CYP2C9 (0.41) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL7672012 0.74 MMP2 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL7667735 0.73 CYP1A2 (0.36) NPC1ALDH1A1GAACYP2C19SMN1; SMN2
SCHEMBL7663262 0.71 LMNA (0.50) NPC1POLBALDH1A1KDM4EKMT2A
SCHEMBL28727264 0.69 KMT2A (0.51) NPC1ALDH1A1GAAKDM4EKMT2A
SCHEMBL7666889 0.69 NPC1 (0.47) NPC1ALDH1A1KMT2ALMNATHRB
SCHEMBL5720809 0.68 ALDH1A1 (0.46) NPC1ALDH1A1KMT2ALMNA
SCHEMBL7867063 0.68 NPC1 (0.54) NPC1ALDH1A1KDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed