SCHEMBL9481075

SCHEMBL9481075

C=CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)[C@H](N)c3cccc(NS(C)(=O)=O)c3)[C@@H]2SC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.46
▸ ALDH1A1 P00352 8/20 0.45
▸ MAPT P10636 8/20 0.45
▸ HSD17B10 Q99714 6/20 0.45
▸ CYP3A4 P08684 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ SLC15A2 Q16348 3/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ USP2 O75604 2/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ LMNA P02545 2/20 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
SCHEMBL10795989 0.86 ALDH1A1 (0.58) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL9483281 0.86 ALDH1A1 (0.58) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL10795980 0.86 ALDH1A1 (0.58) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL9482809 0.85 ALDH1A1 (0.50) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL1649485 0.79 ALDH1A1 (0.70) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
SCHEMBL155070 0.79 ALDH1A1 (0.70) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL4312447 0.78 ALDH1A1 (0.69) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL1649518 0.77 ALDH1A1 (0.68) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
Cefsumide SCHEMBL11217305 0.77 HSD17B10 (0.75) PTGS1ALDH1A1MAPTHSD17B10CYP3A4
Cefsumide SCHEMBL612272 0.77 HSD17B10 (0.75) PTGS1ALDH1A1MAPTHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252731-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 — — US disclosed
US-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 — — US disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 — — US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 — — US disclosed
EP-0244637-A1 Starting compounds for 7-acylamino-3-vinylcephalosporanic acid derivatives and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-11-11 — — EP disclosed
US-4585860-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 — — US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
EP-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 — — US disclosed
US-4409214-A Including cefixime; antibiotics FUJISAWA PHARMACEUTICAL, CO., LTD. (JP) 1983-10-11 — — US disclosed
EP-0030630-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-24 — — EP disclosed
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