SCHEMBL11044067

SCHEMBL11044067

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)O)c3ncsn3)[C@H]2SC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.60
▸ MAPT P10636 6/20 0.60
▸ SLC22A6 Q4U2R8 2/20 0.60
▸ SLC22A8 Q8TCC7 2/20 0.60
▸ SLC22A11 Q9NSA0 2/20 0.60
▸ ALB P02768 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ TDP1 Q9NUW8 9/20 0.56
▸ L3MBTL1 Q9Y468 5/20 0.56
▸ PGR P06401 2/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ DNMT1 P26358 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51

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
SCHEMBL11039500 0.91 MAPT (0.56) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10676259 0.87 NR1I2 (0.67) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9155728 0.86 NR1I2 (0.64) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10782258 0.86 NR1I2 (0.64) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9155732 0.86 NR1I2 (0.64) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11039905 0.86 TDP1 (0.53) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11039908 0.86 TDP1 (0.53) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10646051 0.85 TDP1 (0.51) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10646048 0.85 TDP1 (0.51) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11040874 0.84 TDP1 (0.69) MAPTTDP1L3MBTL1TSHRHPGD

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-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US claimed
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
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