SCHEMBL9535873

SCHEMBL9535873

CCOC(=O)C(C)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.47
PTGES O14684 1/20 0.45
PTGS1 P23219 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9458606 0.85 ALOX5 (0.53) ALOX5PTGESPTGS1MEN1KMT2A
SCHEMBL9458503 0.74 ALOX5 (0.70) ALOX5PTGESPTGS1PDE3BPDE3A
SCHEMBL6483250 0.74 PTGES (0.58) ALOX5PTGESPTGS1PDE3BPDE3A
SCHEMBL6485138 0.74 PTGES (0.58) ALOX5PTGESPTGS1PDE3BPDE3A
SCHEMBL7003381 0.72 PTGES (0.56) ALOX5PTGESPTGS1PDE3BPDE3A
SCHEMBL7003600 0.72 PTGES (0.56) ALOX5PTGESPTGS1PDE3BPDE3A
SCHEMBL9458734 0.69 PTGES (0.65) ALOX5PTGESPTGS1
Ethyl Acetate SCHEMBL7738813 0.69 PTGES (0.52) ALOX5PTGESPTGS1PDE3BPDE3A
SCHEMBL6475789 0.68 KMT2A (0.56) PDE3BPDE3AMEN1KMT2A
SCHEMBL6477477 0.68 PDE3B (0.51) ALOX5PDE3BPDE3AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397175-B1 Substituted pyrrolizine compounds and theit use as pharmaceuticals DANNHARDT GERD PROF DR (DE) 1993-12-08 EP disclosed
EP-0397175-A1 Substituted pyrrolizine compounds and theit use as pharmaceuticals Dannhardt, Gerd, Prof.Dr. (DE) 1990-11-14 EP disclosed