SCHEMBL8747417

SCHEMBL8747417

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CCSC3=O)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.75
▸ MAPT P10636 5/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ FAP Q12884 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ NR1I2 O75469 5/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ ALB P02768 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56
▸ SLC22A11 Q9NSA0 1/20 0.56
▸ TDP1 Q9NUW8 5/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55

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
SCHEMBL8747348 0.90 PTGS1 (0.74) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL9698027 0.90 PTGS1 (0.74) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL9698031 0.90 PTGS1 (0.74) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8996791 0.89 PTGS1 (0.75) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8996919 0.88 PTGS1 (0.74) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8996915 0.88 PTGS1 (0.74) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8996941 0.88 PTGS1 (0.75) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8996947 0.88 PTGS1 (0.75) PTGS1MAPTALDH1A1FAPUSP2
SCHEMBL8747320 0.88 NR1I2 (0.68) PTGS1MAPTALDH1A1NR1I2HTR2C
SCHEMBL8747389 0.86 TDP1 (0.66) PTGS1MAPTALDH1A1NR1I2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548186-B1 CEPHALOSPORIN DERIVATIVES AND THEIR HOMOLOGUES BEECHAM GROUP PLC (GB) 1997-03-05 — — EP claimed
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