SCHEMBL7206047

SCHEMBL7206047

O=C(O)CCC(C(=O)OCc1ccccc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
FOLH1 Q04609 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ADAM33 Q9BZ11 2/20 0.43
CTSL P07711 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
EGFR P00533 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL17629527 0.83 RAB9A (0.46) RAB9ASLC6A2SLC6A3ADAM33CTSL
SCHEMBL20538365 0.83 RAB9A (0.46) RAB9ASLC6A2SLC6A3ADAM33CTSL
SCHEMBL10588588 0.83 CTSL (0.49) RAB9ASLC6A2SLC6A3CTSLALDH1A1
SCHEMBL12869922 0.82 SIGMAR1 (0.44) RAB9ASLC6A2SLC6A3CTSLALDH1A1
SCHEMBL13047512 0.79 RAB9A (0.40) RAB9ASLC6A2SLC6A3ADAM33CTSL
SCHEMBL24534624 0.77 ALDH1A1 (0.49) RAB9ASLC6A2SLC6A3CTSLALDH1A1
SCHEMBL10946417 0.77 ALDH1A1 (0.49) RAB9ASLC6A2SLC6A3CTSLALDH1A1
SCHEMBL25948326 0.77 ALDH1A1 (0.49) RAB9ASLC6A2SLC6A3CTSLALDH1A1
SCHEMBL8312302 0.77 SLC6A4 (0.46) SLC6A2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL9980805 0.76 FABP4 (0.44) FOLH1SLC6A2SLC6A3HTTALDH1A1

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-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed