SCHEMBL9361057

SCHEMBL9361057

CC(=O)Oc1cccc(-c2n[c]sc2CC(=O)O)c1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.44
▸ KDM4E B2RXH2 7/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TTR P02766 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CHRM2 P08172 1/20 0.36

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
SCHEMBL9364766 0.77 MAPK1 (0.50) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9365480 0.73 AKR1B1 (0.38) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL9361507 0.71 MAPK1 (0.46) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9365438 0.71 MAPK1 (0.46) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9876858 0.70 MAPK1 (0.58) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8676657 0.69 MAPK1 (0.60) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5212814 0.67 MAPK1 (0.71) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10596845 0.67 MAPK1 (0.57) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10821313 0.66 MAPK1 (0.44) MAPK1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6313351 0.63 MPL (0.47) MAPK1KDM4EALDH1A1HSD17B10PTPN1

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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