SCHEMBL9360360

SCHEMBL9360360

CC(=O)Oc1cccc(-c2nn[c]o2)c1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 7/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ BLM P54132 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GGT1 P19440 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL9364738 0.76 MAPK1 (0.46) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9361507 0.73 MAPK1 (0.46) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5212814 0.72 MAPK1 (0.71) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3613332 0.70 ALDH1A1 (0.46) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8676657 0.70 MAPK1 (0.60) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL28975051 0.69 MAPK1 (0.47) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10596845 0.68 MAPK1 (0.57) MAPK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9365438 0.68 MAPK1 (0.46) MAPK1KDM4EHSD17B10ALDH1A1HPGD
Dipyrocetyl SCHEMBL29508594 0.66 MAPK1 (1.00) MAPK1KDM4EHSD17B10ALDH1A1HPGD
Dipyrocetyl SCHEMBL26164 0.66 MAPK1 (1.00) MAPK1KDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
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