SCHEMBL8399394

SCHEMBL8399394

CC(C)(C)OC(=O)OC(=O)CC1C(=O)NCc2ccccc2N1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
CCKBR P32239 1/20 0.33

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
SCHEMBL8468700 0.65 ALDH1A1 (0.43) KDM4EALDH1A1GAA
SCHEMBL1351954 0.65 MAPK1 (0.46) MAPK1
SCHEMBL8399400 0.64 MAPK1 (0.33) MAPTMAPK1EPHX2
SCHEMBL6247351 0.64 OXTR (0.53) KDM4EOXTRAVPR1AMAPTMAPK1
SCHEMBL8399397 0.63 EPHX2 (0.44) KDM4ELMNAALDH1A1GAAMAPT
SCHEMBL9690349 0.62 CCKBR (0.52) CCKBR
SCHEMBL4798163 0.61 EPHX2 (0.53) GAAEPHX2
SCHEMBL4798177 0.61 EPHX2 (0.53) GAAEPHX2
SCHEMBL17916932 0.61 EPHX2 (0.53) GAAEPHX2
SCHEMBL30885132 0.61 MAPK1 (0.49) MAPK1EPHX2

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