SCHEMBL8997028

SCHEMBL8997028

O=C(OC(c1ccccc1)c1ccccc1)C1=C(SC2COCOC2)CS[C@H]2C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.39
▸ PGR P06401 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ TDP1 Q9NUW8 6/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ PTGS1 P23219 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ APAF1 O14727 2/20 0.36
▸ APEX1 P27695 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PLCG1 P19174 1/20 0.36
▸ ABCC2 Q92887 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 3/20 0.36

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
SCHEMBL8997021 1.00 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8997003 0.95 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8997007 0.95 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996992 0.94 KMT2A (0.45) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996998 0.94 KMT2A (0.45) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996932 0.93 NR1I2 (0.39) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996916 0.89 NR1I2 (0.38) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996908 0.89 NR1I2 (0.38) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996918 0.89 NR1I2 (0.41) NR1I2PGRPPARGESR1TDP1
SCHEMBL8996913 0.89 NR1I2 (0.41) 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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