SCHEMBL10749355

SCHEMBL10749355

Cn1nc(O)c(=O)nc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCc3ccc(O)cc3)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.66
▸ PGR P06401 2/20 0.66
▸ PPARG P37231 2/20 0.66
▸ SLC22A6 Q4U2R8 2/20 0.66
▸ SLC22A8 Q8TCC7 2/20 0.66
▸ SLC22A11 Q9NSA0 2/20 0.66
▸ DAO P14920 1/20 0.66
▸ SNCA P37840 1/20 0.66
▸ CYP2J2 P51589 1/20 0.66
▸ ABCC4 O15439 3/20 0.66
▸ TDP1 Q9NUW8 7/20 0.65
▸ MAPT P10636 5/20 0.65
▸ APEX1 P27695 4/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ RECQL P46063 2/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ BLM P54132 1/20 0.65

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
SCHEMBL10744593 1.00 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10746833 1.00 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10747480 0.97 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10746313 0.96 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10746289 0.96 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10747981 0.96 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10747881 0.96 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10747355 0.96 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10834452 0.93 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL4897101 0.91 NR1I2 (0.80) 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-4698338-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1987-10-06 — — US claimed
EP-0233780-A2 O-substituted oximino cephalosporins ELI LILLY AND COMPANY (US) 1987-08-26 — — EP claimed
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