SCHEMBL11110488

SCHEMBL11110488

CC(C)ON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.86
▸ PGR P06401 3/20 0.86
▸ PPARG P37231 3/20 0.66
▸ SLC22A6 Q4U2R8 3/20 0.66
▸ SLC22A8 Q8TCC7 3/20 0.66
▸ SLC22A11 Q9NSA0 3/20 0.66
▸ DAO P14920 1/20 0.66
▸ SNCA P37840 1/20 0.66
▸ CYP2J2 P51589 1/20 0.66
▸ ABCC4 O15439 1/20 0.66
▸ HTR2C P28335 1/20 0.62
▸ TDP1 Q9NUW8 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ POLB P06746 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ APEX1 P27695 2/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ RECQL P46063 1/20 0.60

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
SCHEMBL11110483 1.00 NR1I2 (0.86) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600471 0.94 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600482 0.94 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10833123 0.94 NR1I2 (0.76) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL8768620 0.93 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL10492342 0.93 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL10633730 0.93 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL9659869 0.93 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL1813696 0.93 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL3252593 0.93 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 — — US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 — — US disclosed
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