SCHEMBL10782272

SCHEMBL10782272

C#CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OCC=C)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.67
▸ PGR P06401 2/20 0.67
▸ PPARG P37231 2/20 0.58
▸ SLC22A6 Q4U2R8 2/20 0.58
▸ SLC22A8 Q8TCC7 2/20 0.58
▸ SLC22A11 Q9NSA0 2/20 0.58
▸ DAO P14920 1/20 0.58
▸ SNCA P37840 1/20 0.58
▸ CYP2J2 P51589 1/20 0.58
▸ ABCC4 O15439 2/20 0.57
▸ TDP1 Q9NUW8 6/20 0.57
▸ APAF1 O14727 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ APEX1 P27695 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ PLCG1 P19174 1/20 0.57
▸ ABCC2 Q92887 1/20 0.57
▸ SIRT5 Q9NXA8 1/20 0.57
▸ PSMD14 O00487 1/20 0.56

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
SCHEMBL11332972 1.00 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10782285 1.00 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10786793 0.93 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10786799 0.93 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL10785409 0.93 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10784309 0.93 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL10785401 0.93 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10784320 0.93 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11172025 0.93 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11006780 0.93 NR1I2 (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405617-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-20 — — US claimed
EP-0126859-B1 INTERMEDIATE COMPOUNDS FOR PREPARING CEPHEM COMPOUNDS AND PROCESSES FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-19 — — EP disclosed
US-4563450-A CEPHALOSPORINS, MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 — — US disclosed
EP-0126859-A1 Intermediate compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-05 — — EP disclosed
US-4405617-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-20 — — US disclosed
EP-0033965-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-19 — — EP disclosed
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