SCHEMBL8776282

SCHEMBL8776282

O=C(OC(c1ccccc1)c1ccccc1)C1=C(Sc2nc3ccccc3s2)CS[C@@H]2C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ APAF1 O14727 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ APEX1 P27695 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
▸ KMT2A Q03164 1/20 0.35
▸ PSMD14 O00487 1/20 0.35

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
SCHEMBL8776283 1.00 NR1I2 (0.38) NR1I2PPARGPGRESR1TDP1
SCHEMBL8776265 0.94 NR1I2 (0.43) NR1I2PPARGPGRESR1TDP1
SCHEMBL8776268 0.94 NR1I2 (0.43) NR1I2PPARGPGRESR1TDP1
SCHEMBL8776263 0.92 TDP1 (0.40) NR1I2PPARGPGRESR1TDP1
SCHEMBL8776260 0.92 TDP1 (0.40) NR1I2PPARGPGRESR1TDP1
SCHEMBL9571502 0.92 NR1I2 (0.42) NR1I2PPARGPGRESR1TDP1
SCHEMBL9571518 0.92 NR1I2 (0.42) NR1I2PPARGPGRESR1TDP1
SCHEMBL7648122 0.88 NR1I2 (0.39) NR1I2PPARGPGRESR1TDP1
SCHEMBL7648123 0.88 NR1I2 (0.39) NR1I2PPARGPGRESR1TDP1
SCHEMBL8996918 0.88 NR1I2 (0.41) NR1I2PPARGPGRESR1TDP1

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-0527686-B1 Cephalosporin derivatives MEIJI SEIKA KAISHA (JP) 1997-10-08 — — EP disclosed
US-5461044-A High concentration in blood; orally or injectable administrable MEIJI SEIKA KAISHA, LTD. (JP) 1995-10-24 — — US disclosed
EP-0527686-A1 New cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1993-02-17 — — EP disclosed
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