SCHEMBL8868072

SCHEMBL8868072

CSCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3ccccc3)[C@@H]2SC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ DUSP3 P51452 1/20 0.52
▸ PTPN5 P54829 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ PLCG1 P19174 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ NR1I2 O75469 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ SLC22A6 Q4U2R8 1/20 0.48
▸ SLC22A8 Q8TCC7 1/20 0.48
▸ SLC22A11 Q9NSA0 1/20 0.48

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
SCHEMBL8868061 1.00 TDP1 (0.58) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL8868746 0.92 TDP1 (0.56) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL8868749 0.92 TDP1 (0.56) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL14065427 0.90 TDP1 (0.61) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL11015972 0.89 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL7804219 0.89 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL1132359 0.89 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL10579475 0.89 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL9642504 0.89 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL27275320 0.89 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1

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-5594132-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 — — US disclosed
US-5026695-A Gram negative-gram positive microbiocides, oral adminis tration FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-25 — — US disclosed
US-4904652-A 7-acylamino-3-substituted cephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
US-4462999-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
US-4409215-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-11 — — US disclosed
EP-0029557-A2 7-Acylamino-3-substituted cephalosporanic acid derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-03 — — EP disclosed
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