SCHEMBL7260491

SCHEMBL7260491

CC(C)C1C(C)CCCC1OCC(=O)NCc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.47
EPHX1 P07099 1/20 0.42
PPID Q08752 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPIG Q13427 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
SCHEMBL7261448 0.83 SERPINE1 (0.69) SERPINE1KMT2A
SCHEMBL7265924 0.83 SERPINE1 (0.56) SERPINE1KMT2AGAAKDM4EMEN1
SCHEMBL7260082 0.79 SERPINE1 (0.72) SERPINE1ALDH1A1
SCHEMBL7261418 0.79 KMT2A (0.49) SERPINE1ALDH1A1KMT2AGAAMEN1
SCHEMBL7261488 0.78 SERPINE1 (0.58) SERPINE1EPHX1ALDH1A1KMT2AGAA
SCHEMBL7265948 0.77 SERPINE1 (0.52) SERPINE1KMT2AGAAMEN1SMN1; SMN2
SCHEMBL7264661 0.77 SERPINE1 (0.55) SERPINE1KMT2A
SCHEMBL7265777 0.76 SERPINE1 (0.77) SERPINE1KMT2AMEN1SMN1; SMN2
SCHEMBL7260075 0.74 SERPINE1 (0.58) SERPINE1EPHX1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7264716 0.74 SERPINE1 (0.59) SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003080564-A1 MENTHOL SUBSTITUTED ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed