SCHEMBL11517322

SCHEMBL11517322

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)C(NC(=O)NCC(N)=O)c3cccs3)C2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.61
▸ TDP1 Q9NUW8 7/20 0.61
▸ NR1I2 O75469 4/20 0.61
▸ CTDSP1 Q9GZU7 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ SLC22A6 Q4U2R8 2/20 0.61
▸ SLC22A8 Q8TCC7 2/20 0.61
▸ SLC22A11 Q9NSA0 2/20 0.61
▸ DNMT1 P26358 2/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ POLB P06746 4/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL11518484 0.91 MAPT (0.66) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11849755 0.91 MAPT (0.66) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11611919 0.91 MAPT (0.66) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11678297 0.91 MAPT (0.62) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11613589 0.90 MAPT (0.65) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11637222 0.90 MAPT (0.61) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11625736 0.89 MAPT (0.60) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11794482 0.88 MAPT (0.68) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11602491 0.88 MAPT (0.62) MAPTTDP1NR1I2CTDSP1HPGD
SCHEMBL11616226 0.85 MAPT (0.63) MAPTTDP1NR1I2CTDSP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4142045-A ANTIBIOTICS, BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1979-02-27 — — US disclosed
US-4086422-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-04-25 — — US disclosed
Send feedback