SCHEMBL5163527

SCHEMBL5163527

CCC(C(=O)O)C(=O)c1cocn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
ACACB O00763 2/20 0.37
PTGS2 P35354 2/20 0.35
MME P08473 1/20 0.31
GRM5 P41594 1/20 0.30
F2R P25116 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL5162386 0.77 GPR84 (0.33) PIK3CDPTGS2
SCHEMBL2632662 0.76
SCHEMBL24663488 0.69 PIK3CD (0.40) PIK3CDACACBPTGS2F2R
SCHEMBL5159964 0.69 SMN1; SMN2 (0.32)
SCHEMBL3494048 0.69 GSK3B (0.56)
SCHEMBL27788447 0.69
Hydrochloric Acid SCHEMBL28286442 0.69
SCHEMBL27755491 0.69
SCHEMBL8865580 0.68 PIK3CD (0.40) PIK3CDACACBPTGS2F2RRIPK1
SCHEMBL4411674 0.68 P2RX7 (0.49)

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-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed