SCHEMBL9602770

SCHEMBL9602770

Cc1nsc(SCC2(C(=O)O)CS[C@@H]3C(NC(=O)C(=NOC(F)F)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N3C2)n1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.32
▸ PGR P06401 3/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ APAF1 O14727 1/20 0.30
▸ PLCG1 P19174 1/20 0.30
▸ ABCC2 Q92887 1/20 0.30
▸ SIRT5 Q9NXA8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PTGS1 P23219 1/20 0.30

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
SCHEMBL9601608 0.91 CTDSP1 (0.35) NR1I2PGRESR1PPARGTDP1
SCHEMBL9600730 0.90 NR1I2 (0.31) NR1I2PGRESR1PPARGTDP1
SCHEMBL9601930 0.90 NR1I2 (0.33) NR1I2PGRESR1PPARGTDP1
SCHEMBL9602264 0.88 NR1I2 (0.43) NR1I2PGRESR1PPARGTDP1
SCHEMBL9600364 0.88 NR1I2 (0.31) NR1I2PGRESR1PPARGTDP1
SCHEMBL9600283 0.88 NR1I2 (0.31) NR1I2PGRESR1PPARGTDP1
SCHEMBL9602496 0.88 NR1I2 (0.33) NR1I2PGRESR1PPARGTDP1
SCHEMBL9600669 0.87 NR1I2 (0.42) NR1I2PGRESR1PPARGTDP1
SCHEMBL9600014 0.87 TDP1 (0.34) NR1I2PGRESR1PPARGTDP1
SCHEMBL9602584 0.86 TDP1 (0.37) NR1I2PGRESR1PPARGTDP1

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-0188254-B1 CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 — — EP disclosed
US-4761410-A MICROBIOCIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 — — US disclosed
EP-0188254-A2 Cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 — — EP disclosed
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