SCHEMBL11046833

SCHEMBL11046833

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3ccc4nnnn4n3)CS[C@H]12)c1ncsn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.46
▸ PGR P06401 3/20 0.46
▸ SLC22A6 Q4U2R8 3/20 0.41
▸ SLC22A8 Q8TCC7 3/20 0.41
▸ SLC22A11 Q9NSA0 3/20 0.41
▸ CTDSP1 Q9GZU7 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ POLB P06746 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ CYP2J2 P51589 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11046836 1.00 NR1I2 (0.46) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11044055 0.92 NR1I2 (0.48) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11044052 0.92 NR1I2 (0.48) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10850523 0.90 NR1I2 (0.50) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10850527 0.90 NR1I2 (0.50) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10935180 0.90 NR1I2 (0.51) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL10935197 0.90 NR1I2 (0.51) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11048027 0.88 NR1I2 (0.60) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11048025 0.88 NR1I2 (0.60) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11012017 0.87 NR1I2 (0.64) NR1I2PGRSLC22A6SLC22A8SLC22A11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
Send feedback