SCHEMBL8996918

SCHEMBL8996918

CC(=O)SC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@@H]2SC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.41
▸ PGR P06401 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ TDP1 Q9NUW8 7/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALB P02768 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ APEX1 P27695 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL8996913 1.00 NR1I2 (0.41) NR1I2PGRPPARGESR1TDP1
SCHEMBL8766291 0.94 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL7563325 0.94 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL8766297 0.94 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL8766948 0.92 NR1I2 (0.42) NR1I2PGRPPARGESR1TDP1
SCHEMBL7648122 0.90 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL7648123 0.90 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8997028 0.89 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996932 0.89 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8997021 0.89 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1

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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