SCHEMBL3148192

SCHEMBL3148192

Cc1ccc(S(=O)(=O)N2C(C(=O)O)CC3CCCCC32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 7/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MMP2 P08253 1/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2953994 0.97 ACHE (0.54) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL7971275 0.88 ACHE (0.48) ACHEMEN1KMT2AALDH1A1PSEN1
SCHEMBL5310614 0.87 PSEN1 (0.59) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL2964063 0.87 PSEN1 (0.43) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL8320723 0.87 PSEN1 (0.43) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL8327363 0.86 MMP2 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL8319711 0.85 ALDH1A1 (0.58) MEN1KMT2APOLBALDH1A1PSEN1
SCHEMBL2969335 0.85 ALDH1A1 (0.58) MEN1KMT2APOLBALDH1A1PSEN1
SCHEMBL2969395 0.84 TDP1 (0.41) ACHEMEN1KMT2APOLBALDH1A1
SCHEMBL8320747 0.84 TDP1 (0.41) ACHEMEN1KMT2APOLBALDH1A1

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-1585728-B1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP claimed
CN-102887853-B A kind of preparation method of trandolapril intermediate SHANGHAI JIAO TONG UNIVERSITY (CN) 2016-01-13 CN disclosed
CN-102887853-A Method for preparing trandolapril intermediate UNIV SHANGHAI JIAOTONG 2013-01-23 CN disclosed