SCHEMBL9367257

SCHEMBL9367257

CC(C)(C)OC(=O)C(C)(Cc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)O/N=C\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CCl)CS[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 4/20 0.38
▸ NR1I2 O75469 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ SLC22A6 Q4U2R8 2/20 0.36
▸ SLC22A8 Q8TCC7 2/20 0.36
▸ SLC22A11 Q9NSA0 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ DNMT1 P26358 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL9372145 0.93 PTGS1 (0.40) CTDSP1NR1I2TDP1HTR2CMAPT
SCHEMBL9204298 0.81 NR1I2 (0.51) NR1I2TDP1HTR2CMAPTSLC22A6
SCHEMBL9370289 0.81 NR1I2 (0.51) NR1I2TDP1HTR2CMAPTSLC22A6
SCHEMBL8371361 0.78 TDP1 (0.44) CTDSP1NR1I2TDP1HTR2CMAPT
SCHEMBL10639008 0.78 NR1I2 (0.43) CTDSP1NR1I2TDP1HTR2CMAPT
SCHEMBL10638997 0.78 NR1I2 (0.43) CTDSP1NR1I2TDP1HTR2CMAPT
SCHEMBL9369561 0.77 TDP1 (0.37) CTDSP1NR1I2TDP1HTR2CMAPT
SCHEMBL9413830 0.77 NR1I2 (0.51) NR1I2TDP1HTR2CMAPTSLC22A6
SCHEMBL9413831 0.77 NR1I2 (0.51) NR1I2TDP1HTR2CMAPTSLC22A6
SCHEMBL9413816 0.76 NR1I2 (0.49) NR1I2TDP1HTR2CMAPTSLC22A6

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-0349340-B1 Novel cephem compound, method for producing the same and anti-bacterial agent MEIJI SEIKA CO (JP) 1994-09-07 — — EP disclosed
US-4988686-A Cephalosporin antibiotics MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-29 — — US disclosed
EP-0349340-A2 Novel cephem compound, method for producing the same and anti-bacterial agent MEIJI SEIKA KABUSHIKI KAISHA (JP) 1990-01-03 — — EP disclosed
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