SCHEMBL8996956

SCHEMBL8996956

CC(C)(C)C(=O)OCOC(=O)C1=C(SC2COCOC2)CS[C@@H]2C(NC(=O)/C(=N\O)c3csc(N)n3)C(=O)N12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.65
▸ MAPT P10636 5/20 0.57
▸ FAP Q12884 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TDP1 Q9NUW8 7/20 0.51
▸ ABCC4 O15439 2/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ NR1I2 O75469 4/20 0.47
▸ PPARG P37231 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SLC22A11 Q9NSA0 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ PGR P06401 1/20 0.47

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
SCHEMBL8996967 1.00 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8997009 0.94 PTGS1 (0.64) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8997012 0.94 PTGS1 (0.64) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8996941 0.94 PTGS1 (0.75) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8996947 0.94 PTGS1 (0.75) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8996883 0.92 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8997018 0.89 PTGS1 (0.62) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8997022 0.89 PTGS1 (0.62) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL9345083 0.89 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL8996915 0.88 PTGS1 (0.74) PTGS1MAPTFAPALDH1A1USP2

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-0432042-B1 Cephalosporin derivatives and their production and uses MEIJI SEIKA KAISHA (JP) 1996-08-28 — — EP disclosed
US-5332731-A Antibiotics as bactericides MEIJI SEIKA KAISHA, LTD. (JP) 1994-07-26 — — US disclosed
EP-0432042-A2 Cephalosporin derivatives and their production and uses MEIJI SEIKA KAISHA LTD. (JP) 1991-06-12 — — EP disclosed
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