SCHEMBL10630152

SCHEMBL10630152

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OCP(=O)(O)O)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.83
▸ PGR P06401 3/20 0.83
▸ PPARG P37231 3/20 0.64
▸ SLC22A6 Q4U2R8 3/20 0.64
▸ SLC22A8 Q8TCC7 3/20 0.64
▸ SLC22A11 Q9NSA0 3/20 0.64
▸ DAO P14920 1/20 0.64
▸ SNCA P37840 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ HTR2C P28335 1/20 0.60
▸ TDP1 Q9NUW8 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ POLB P06746 3/20 0.58
▸ APEX1 P27695 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ RECQL P46063 1/20 0.58

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
SCHEMBL10630170 1.00 NR1I2 (0.83) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10632097 0.94 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10632115 0.94 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9076396 0.92 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004971 0.92 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004976 0.92 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9076389 0.92 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL4707015 0.92 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL192780 0.92 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8
Cefmenoxime SCHEMBL27487467 0.92 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288435-A 3,7-Disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 — — US claimed
US-4782158-A CEPHEM ANTIBIOTIC INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 — — US disclosed
US-4599426-A INTERMEDIATES FOR CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO. (JP) 1986-07-08 — — US disclosed
US-4506076-A MICROBIOCIDES, CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-19 — — US disclosed
EP-0009548-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-16 — — EP disclosed
EP-0059486-A1 New starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-08 — — EP disclosed
US-4288435-A 3,7-Disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 — — US disclosed
EP-0009548-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-16 — — EP disclosed
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