SCHEMBL14065427

SCHEMBL14065427

CCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.61
▸ CTDSP1 Q9GZU7 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 6/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPT P10636 6/20 0.55
▸ POLB P06746 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ PLCG1 P19174 1/20 0.52
▸ PTGS1 P23219 1/20 0.51
▸ HPGD P15428 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ SLC15A2 Q16348 2/20 0.48
▸ BLM P54132 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
SCHEMBL10579475 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL9099692 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL9642504 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL11015972 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL1132359 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL7804219 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL27275320 0.94 TDP1 (0.59) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL9699338 0.91 TDP1 (0.58) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL11690600 0.91 TDP1 (0.58) TDP1CTDSP1MAPK1ALDH1A1L3MBTL1
SCHEMBL11690596 0.91 TDP1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427680-B2 Fluorogenic substrates for BETA-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-23 — — US disclosed
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