SCHEMBL9076396

SCHEMBL9076396

CCON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.88
▸ PGR P06401 3/20 0.88
▸ PPARG P37231 3/20 0.67
▸ SLC22A6 Q4U2R8 3/20 0.67
▸ SLC22A8 Q8TCC7 3/20 0.67
▸ SLC22A11 Q9NSA0 3/20 0.67
▸ DAO P14920 1/20 0.67
▸ SNCA P37840 1/20 0.67
▸ CYP2J2 P51589 1/20 0.67
▸ 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 3/20 0.60
▸ APEX1 P27695 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ALDH1A1 P00352 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
SCHEMBL9076389 1.00 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11107637 0.95 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11107640 0.95 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004976 0.95 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004971 0.95 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11008367 0.94 NR1I2 (0.82) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11008371 0.94 NR1I2 (0.82) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL4707015 0.94 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL192780 0.94 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL27487467 0.94 NR1I2 (0.99) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583216-A Methods for the manufacture of cephems TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 — — US disclosed
US-4973684-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 — — US disclosed
US-4912212-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 — — US disclosed
US-4668783-A Thiazolylacetamido cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-26 — — US disclosed
US-4514565-A Thiazolylacetamido cephalosphorin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-30 — — US disclosed
US-4355160-A Thiazolylacetamido cephalosporin type compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 — — US disclosed
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 — — US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 — — US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 — — US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 — — US disclosed
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