SCHEMBL10646266

SCHEMBL10646266

CCSC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N/OCC(=O)OC(C)(C)C)c3ccccc3)[C@H]2SC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ ABCC2 Q92887 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PSMD14 O00487 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.41
▸ NR1I2 O75469 5/20 0.41
▸ PGR P06401 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ PPARG P37231 2/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.39

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
SCHEMBL10646275 1.00 TDP1 (0.43) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10643564 0.91 TDP1 (0.51) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10643567 0.91 TDP1 (0.51) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10643866 0.90 CTDSP1 (0.39) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10643862 0.90 CTDSP1 (0.39) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10649787 0.88 TDP1 (0.47) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10649777 0.88 TDP1 (0.47) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10647492 0.86 TDP1 (0.47) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10647484 0.86 TDP1 (0.47) TDP1APAF1TSHRLMNAAPEX1
SCHEMBL10345586 0.86 TDP1 (0.62) TDP1APAF1TSHRLMNAAPEX1

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-0191507-A2 New 2-oxyimino-3-oxobutyric acid derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 — — 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
Send feedback