SCHEMBL11244979

SCHEMBL11244979

CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc4ccccc4s3)CS[C@H]12)c1csc(NC=O)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.58
▸ PGR P06401 3/20 0.58
▸ HTR2C P28335 1/20 0.57
▸ PPARG P37231 2/20 0.57
▸ SLC22A6 Q4U2R8 2/20 0.57
▸ SLC22A8 Q8TCC7 2/20 0.57
▸ SLC22A11 Q9NSA0 2/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ DAO P14920 1/20 0.57
▸ SNCA P37840 1/20 0.57
▸ CYP2J2 P51589 1/20 0.57
▸ ABCC4 O15439 2/20 0.56
▸ MAPT P10636 5/20 0.55
▸ ALB P02768 1/20 0.55
▸ TDP1 Q9NUW8 5/20 0.49
▸ APEX1 P27695 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ RECQL P46063 2/20 0.49

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
SCHEMBL11244982 1.00 NR1I2 (0.58) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10628406 0.90 NR1I2 (0.47) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10628378 0.90 NR1I2 (0.47) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9684689 0.90 NR1I2 (0.71) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11460601 0.89 NR1I2 (0.46) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10628415 0.89 NR1I2 (0.46) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL8867882 0.87 NR1I2 (0.65) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL8867894 0.87 NR1I2 (0.65) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9659561 0.87 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9659555 0.87 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6

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-4364943-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-21 — — US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 — — US disclosed
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