SCHEMBL11235855

SCHEMBL11235855

NC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)[C@H]2SC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.85
▸ ALDH1A1 P00352 8/20 0.68
▸ HSD17B10 Q99714 7/20 0.68
▸ MAPT P10636 6/20 0.68
▸ KMT2A Q03164 5/20 0.68
▸ TDP1 Q9NUW8 5/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ HPGD P15428 3/20 0.68
▸ CYP3A4 P08684 3/20 0.68
▸ SLC15A2 Q16348 3/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ NR1I2 O75469 2/20 0.68
▸ BLM P54132 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ CTDSP1 Q9GZU7 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ ADRA1A P35348 1/20 0.68

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
SCHEMBL11235857 1.00 PTGS1 (0.85) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Trifluoroacetic Acid SCHEMBL11045643 0.95 PTGS1 (0.77) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Trifluoroacetic Acid SCHEMBL11115278 0.95 PTGS1 (0.77) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Trifluoroacetic Acid SCHEMBL11045641 0.95 PTGS1 (0.77) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Trifluoroacetic Acid SCHEMBL11115279 0.95 PTGS1 (0.77) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11149195 0.94 PTGS1 (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11150123 0.94 PTGS1 (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cephaloglycin SCHEMBL10703211 0.92 PTGS1 (1.00) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cephaloglycin SCHEMBL2947 0.92 PTGS1 (1.00) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cephaloglycin SCHEMBL11635199 0.92 PTGS1 (1.00) PTGS1ALDH1A1HSD17B10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
US-4319028-A 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins ELI LILLY AND COMPANY (US) 1982-03-09 — — US disclosed
US-4145538-A 3-Carbamyloxymethyl-cephalosporins ELI LILLY AND COMPANY (US) 1979-03-20 — — US disclosed
US-4061630-A 7-Substituted-ureido-3-carbamoyloxymethyl cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1977-12-06 — — US disclosed
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