SCHEMBL7732159

SCHEMBL7732159

CC(=O)c1ncn2c(C3=C(C(=O)OCOC(=O)C(C)(C)C)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)csc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.38
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL7730768 0.85 FAP (0.38) FAPKDM4ELMNA
SCHEMBL7722648 0.85 FAP (0.36) FAPKDM4ELMNAPTGS1USP2
SCHEMBL6893026 0.83 ESR1 (0.40) KDM4ELMNAPTGS1
SCHEMBL7732747 0.83 ESR1 (0.36) KDM4ELMNA
SCHEMBL7732679 0.81 PLCG1 (0.37) ALDH1A1MAPTHPGD
SCHEMBL6891146 0.77 KDM4E (0.40) KDM4ELMNAPTGS1
SCHEMBL6890722 0.77 KDM4E (0.40) KDM4ELMNAPTGS1
SCHEMBL7731850 0.77 FAP (0.38) FAPKDM4ELMNA
SCHEMBL7729672 0.77 FAP (0.38) FAPKDM4ELMNA
SCHEMBL7722265 0.76 KDM4E (0.34) KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed