SCHEMBL10955064

SCHEMBL10955064

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)O)c3csc(NC=O)n3)[C@H]2SC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.68
▸ MAPT P10636 5/20 0.68
▸ SLC22A6 Q4U2R8 2/20 0.68
▸ SLC22A8 Q8TCC7 2/20 0.68
▸ SLC22A11 Q9NSA0 2/20 0.68
▸ ALB P02768 1/20 0.68
▸ PPARG P37231 1/20 0.68
▸ TDP1 Q9NUW8 7/20 0.59
▸ L3MBTL1 Q9Y468 5/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ APAF1 O14727 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59

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
SCHEMBL9658284 0.93 NR1I2 (0.79) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL29587230 0.93 NR1I2 (0.79) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10791906 0.92 NR1I2 (0.63) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10787970 0.92 NR1I2 (0.65) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9308616 0.88 NR1I2 (0.86) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9021736 0.88 NR1I2 (0.86) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9021729 0.88 NR1I2 (0.86) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9433140 0.88 NR1I2 (0.86) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11005821 0.88 MAPT (0.62) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11103505 0.88 NR1I2 (0.61) NR1I2MAPTSLC22A6SLC22A8SLC22A11

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-4550102-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1985-10-29 — — US disclosed
EP-0074645-A2 New cephem compounds, processes for their preparation and pharmaceutical antibacterial composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-23 — — EP disclosed
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