SCHEMBL7663129

SCHEMBL7663129

CCCC(C)OC(=O)CC(N)CS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 6/20 0.38
PSIP1 O75475 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MMP13 P45452 4/20 0.36
MMP1 P03956 3/20 0.36
MMP7 P09237 3/20 0.36
MMP12 P39900 3/20 0.36
ACE P12821 2/20 0.36
LARS1 Q9P2J5 1/20 0.35

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
SCHEMBL7672021 0.85 HSD11B1 (0.39) SMN1; SMN2HSD11B1PSIP1ALDH1A1MMP13
SCHEMBL7660484 0.81 MAPT (0.43) ALDH1A1MMP13MMP1
SCHEMBL7674078 0.81 LMNA (0.42) HSD11B1PSIP1ALDH1A1MMP13
SCHEMBL8063159 0.79 KMT2A (0.46) SMN1; SMN2ALDH1A1
SCHEMBL7746226 0.76 HSD11B1 (0.44) HSD11B1PSIP1ALDH1A1MMP13
SCHEMBL7663127 0.76 SMN1; SMN2 (0.63) APOBEC3GSMN1; SMN2ALDH1A1MMP12
SCHEMBL7345314 0.75 HSD11B1 (0.46) HSD11B1PSIP1MMP13MMP7
SCHEMBL8064604 0.72 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL24062675 0.71 PSIP1 (0.44) HSD11B1PSIP1MMP13LARS1
SCHEMBL8072732 0.71 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1

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
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