SCHEMBL10839018

SCHEMBL10839018

CON=C(C(=O)NC1C(=O)N2CC(CSc3nnnn3CCNC(=O)OC(C)(C)C)(C(=O)O)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.40
▸ PGR P06401 3/20 0.40
▸ PPARG P37231 2/20 0.32
▸ SLC22A6 Q4U2R8 2/20 0.32
▸ SLC22A8 Q8TCC7 2/20 0.32
▸ SLC22A11 Q9NSA0 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32

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
SCHEMBL10838767 0.96 NR1I2 (0.39) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10851962 0.94 NR1I2 (0.34) NR1I2PGRKCNH2TDP1HSD17B10
SCHEMBL10839050 0.94 KCNH2 (0.38) NR1I2PGRKCNH2TDP1HSD17B10
SCHEMBL10839088 0.94 NR1I2 (0.34) NR1I2PGRKCNH2
SCHEMBL10848867 0.94 NR1I2 (0.35) NR1I2PGRKCNH2TDP1HSD17B10
SCHEMBL10850677 0.94 NR1I2 (0.34) NR1I2PGRKCNH2L3MBTL1
SCHEMBL10852357 0.93 NR1I2 (0.34) NR1I2PGRKCNH2L3MBTL1
SCHEMBL10856327 0.93 NR1I2 (0.33) NR1I2PGRKCNH2L3MBTL1
SCHEMBL10857687 0.93 KCNH2 (0.34) NR1I2PGRKCNH2TDP1APEX1
SCHEMBL10852029 0.92 NR1I2 (0.34) NR1I2PGRKCNH2TDP1HSD17B10

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
US-4585872-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 — — US disclosed
US-4447429-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-05-08 — — US disclosed
US-4268509-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-19 — — US disclosed
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