SCHEMBL9306719

SCHEMBL9306719

CC=CC(=O)c1c(OC)cccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ABCG2 Q9UNQ0 4/20 0.50
AURKA O14965 1/20 0.50
TNFRSF1A P19438 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KRAS P01116 1/20 0.45
NFE2L2 Q16236 2/20 0.45
TFEB P19484 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL979440 0.81 ABCG2 (0.75) CA12CA1CA2CA7CA9
SCHEMBL979442 0.81 ABCG2 (0.75) CA12CA1CA2CA7CA9
SCHEMBL11538773 0.80 TDP1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL11538090 0.80 TDP1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL18480627 0.79 ABCG2 (0.68) ABCG2AURKATNFRSF1AMAOAMAOB
SCHEMBL977481 0.79 MAPT (0.67) ABCG2TNFRSF1AMAOAMAOBNPC1
SCHEMBL14249374 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL977479 0.79 MAPT (0.67) ABCG2TNFRSF1AMAOAMAOBNPC1
SCHEMBL14249373 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL15155371 0.78 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292806-B1 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1994-11-02 EP claimed
US-5276024-A 3-substituted cephalosporins, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
EP-0292806-A2 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1988-11-30 EP claimed
EP-0292806-B1 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1994-11-02 EP disclosed
US-5324721-A 3-Substituted cephalosporins, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1994-06-28 US disclosed
US-5276024-A 3-substituted cephalosporins, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-5171854-A Antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1992-12-15 US disclosed
EP-0487996-A2 Cephalosporins substituted in position 3, process for their preparation and their use as medicine BAYER AG (DE) 1992-06-03 EP disclosed
EP-0477717-A2 New 3-substituted cephalosporins, process for their preparation and their use as medicinal preparations BAYER AG (DE) 1992-04-01 EP disclosed
EP-0405217-A1 2-Isocephems and 2-oxa-isocephems, process for their preparation and their application as and in medicines BAYER AG (DE) 1991-01-02 EP disclosed
US-4980348-A HETEROANELLATED PHENYLGLYCINE-BETA-LACTAM ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0326887-A1 Beta-lactam antibiotics, process for their preparation and their use as and in therapeutic agents BAYER AG (DE) 1989-08-09 EP disclosed
EP-0292806-A2 Substituted vinyl cephalosporins, process for their preparation and their use as medicines BAYER AG (DE) 1988-11-30 EP disclosed