SCHEMBL4787901

SCHEMBL4787901

CC(=O)Oc1nc(C(C)C)cc2c1C(=O)OCC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ACACB O00763 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
SCHEMBL4786364 0.83 PGR (0.47) PGRESR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4787509 0.82 PGR (0.44) PGRESR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4788071 0.81 PGR (0.43) PGRESR1ALDH1A1MAPT
SCHEMBL4069470 0.79 MAOA (0.37) PGRSMN1; SMN2MAOAMAOB
SCHEMBL4785581 0.78 PGR (0.43) PGRALDH1A1MAPT
SCHEMBL4788972 0.76 PGR (0.46) PGRESR1MAPT
SCHEMBL4063663 0.76 MAOA (0.31) PGRMAOAMAOB
SCHEMBL4245321 0.75 GAA (0.33) PGRMAPTSMN1; SMN2
SCHEMBL4749923 0.71 KDM4E (0.44) PGRALDH1A1MAPTSMN1; SMN2
SCHEMBL4746294 0.70 ALDH1A1 (0.43) PGRALDH1A1MAPTSMN1; SMN2

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
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed