SCHEMBL8399400

SCHEMBL8399400

CC(C)(C)OC(=O)C1(CC(=O)O)C(=O)NCc2ccccc2N1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SCN9A Q15858 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
ACE P12821 1/20 0.32
HSD17B3 P37058 1/20 0.32
KDM1A O60341 1/20 0.31
EPHX2 P34913 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
BCHE P06276 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
SCHEMBL8399394 0.64 KDM4E (0.36) MAPK1MAPTEPHX2
SCHEMBL7271514 0.64 BCHE (0.39) MAPK1OPRK1KDM1ABCHE
SCHEMBL29029873 0.62 CA12 (0.60) MAPK1EPHX2
SCHEMBL4881533 0.61 KIF11 (0.35) MAPK1KDM1AEPHX2
SCHEMBL30885132 0.61 MAPK1 (0.49) MAPK1HSD17B3KDM1AEPHX2BCHE
SCHEMBL6247351 0.59 OXTR (0.53) MAPK1MAPT
SCHEMBL7296197 0.59 CD69 (0.41) MAPK1MAPTEPHX2
SCHEMBL27006578 0.59 POLB (0.38) MAPK1EPHX2
SCHEMBL29193914 0.58 POLB (0.36) MAPK1EPHX2
SCHEMBL304611 0.58 EPHX2 (0.38) MAPK1KDM1AEPHX2DDB1CRBN

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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed