SCHEMBL8766306

SCHEMBL8766306

CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(S)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.44
▸ PGR P06401 3/20 0.44
▸ PPARG P37231 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ TDP1 Q9NUW8 6/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PTGS1 P23219 2/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALB P02768 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 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
SCHEMBL10850349 0.93 PTGS1 (0.48) NR1I2PGRPPARGESR1TDP1
SCHEMBL10850361 0.93 PTGS1 (0.48) NR1I2PGRPPARGESR1TDP1
SCHEMBL10805334 0.92 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL5712656 0.91 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL5712657 0.91 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL9201934 0.91 NR1I2 (0.47) NR1I2PGRPPARGESR1TDP1
SCHEMBL10848830 0.91 NR1I2 (0.46) NR1I2PGRPPARGESR1TDP1
SCHEMBL8766948 0.91 NR1I2 (0.42) NR1I2PGRPPARGESR1TDP1
SCHEMBL10848834 0.91 NR1I2 (0.46) NR1I2PGRPPARGESR1TDP1
SCHEMBL10943928 0.90 NR1I2 (0.42) 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-0504404-B1 PROCESS FOR PRODUCING 3-SUBSTITUTED THIO-3-CEPHEM COMPOUND MEIJI SEIKA KAISHA (JP) 1997-08-06 — — EP disclosed
US-5294705-A Process for the preparation of a 3-substituted thio-3-cephem compound MEIJI SEIKA KAISHA, LTD. (JP) 1994-03-15 — — US disclosed
EP-0504404-A1 PROCESS FOR PRODUCING 3-SUBSTITUTED THIO-3-CEPHEM COMPOUND MEIJI SEIKA KAISHA LTD. (JP) 1992-09-23 — — EP disclosed
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