SCHEMBL14065430

SCHEMBL14065430

CCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.62
▸ MAPT P10636 5/20 0.62
▸ HPGD P15428 4/20 0.62
▸ NR1I2 O75469 2/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A8 Q8TCC7 2/20 0.62
▸ SLC22A11 Q9NSA0 2/20 0.62
▸ CTDSP1 Q9GZU7 2/20 0.62
▸ DNMT1 P26358 1/20 0.62
▸ HSD17B10 Q99714 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ GLA P06280 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL11674593 1.00 TDP1 (0.62) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11674589 1.00 TDP1 (0.62) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL7040792 0.94 TDP1 (0.61) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL7028779 0.94 TDP1 (0.61) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL7030196 0.94 TDP1 (0.61) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11063940 0.94 TDP1 (0.61) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL9436142 0.94 TDP1 (0.61) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11691341 0.92 TDP1 (0.65) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11691346 0.92 TDP1 (0.65) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL11688218 0.92 TDP1 (0.60) TDP1MAPTHPGDNR1I2SLC22A6

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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