SCHEMBL7091877

SCHEMBL7091877

COc1cccc(C(=O)O)c1OCc1ccccc1Oc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 18/20 0.62
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7087929 0.91 SERPINE1 (0.67) SERPINE1LMNAMAPTHTT
SCHEMBL7090405 0.85 SERPINE1 (0.80) SERPINE1LMNAMAPTHTT
SCHEMBL7089529 0.81 SERPINE1 (0.75) SERPINE1LMNAMAPTHTT
SCHEMBL7088383 0.81 SERPINE1 (0.69) SERPINE1LMNAMAPTHTT
SCHEMBL7088370 0.80 SERPINE1 (0.77) SERPINE1LMNAMAPTHTT
SCHEMBL7084984 0.79 SERPINE1 (0.79) SERPINE1LMNAMAPTHTT
SCHEMBL7085685 0.77 SERPINE1 (1.00) SERPINE1LMNAMAPTHTT
SCHEMBL7088218 0.76 SERPINE1 (1.00) SERPINE1LMNAMAPTHTT
SCHEMBL7085804 0.75 SERPINE1 (0.88) SERPINE1LMNAMAPTHTT
SCHEMBL7085638 0.74 SERPINE1 (0.84) SERPINE1LMNAMAPTHTT

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-2003080060-A1 SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed