SCHEMBL8923588

SCHEMBL8923588

CC(C)(C)OC(=O)NCC12CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC1CCO2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.51
TOP2A P11388 1/20 0.51
CYP2C9 P11712 1/20 0.51
TOP2B Q02880 1/20 0.51
PIK3CG P48736 5/20 0.46
PIK3CD O00329 3/20 0.46
PIK3R1 P27986 3/20 0.46
PIK3CA P42336 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL7847371 0.92 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7847367 0.92 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9211202 0.92 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7847782 0.91 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7843329 0.90 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7834705 0.89 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7844361 0.89 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8924069 0.88 LMNA (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7847276 0.87 KCNH2 (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7501715 0.87 KCNH2 (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP disclosed