SCHEMBL10643588

SCHEMBL10643588

CSC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3ccco3)[C@@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ NR1I2 O75469 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ PGR P06401 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 4/20 0.50
▸ CTDSP1 Q9GZU7 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ ABCC4 O15439 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ SPOP O43791 1/20 0.45
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ ABCC2 Q92887 1/20 0.41

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
SCHEMBL10643585 1.00 TDP1 (0.56) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11055001 0.90 ABCC4 (0.48) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11055004 0.90 ABCC4 (0.48) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11550663 0.86 TDP1 (0.68) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11332015 0.86 NR1I2 (0.71) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11332011 0.86 NR1I2 (0.71) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11611462 0.86 TDP1 (0.78) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL11604888 0.86 TDP1 (0.78) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL10649101 0.85 TDP1 (0.41) TDP1HSD17B10NR1I2TSHRPGR
SCHEMBL10649097 0.85 TDP1 (0.41) TDP1HSD17B10NR1I2TSHRPGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057422-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-12 — — EP disclosed
EP-0192296-A1 Novel disaccharide and trisaccharide derivatives of the \"Lipid A\" type AKZO N.V. (NL) 1986-08-27 — — EP disclosed
US-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 — — US disclosed
EP-0057422-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 — — EP disclosed
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