SCHEMBL11178495

SCHEMBL11178495

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.78
▸ MAPT P10636 7/20 0.70
▸ TDP1 Q9NUW8 6/20 0.70
▸ NR1I2 O75469 3/20 0.70
▸ HPGD P15428 3/20 0.70
▸ DNMT1 P26358 1/20 0.70
▸ SLC22A6 Q4U2R8 1/20 0.70
▸ SLC22A8 Q8TCC7 1/20 0.70
▸ CTDSP1 Q9GZU7 1/20 0.70
▸ SLC22A11 Q9NSA0 1/20 0.70
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ HSD17B10 Q99714 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ APEX1 P27695 1/20 0.59

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
SCHEMBL11503047 1.00 PTGS1 (0.78) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11178499 1.00 PTGS1 (0.78) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11219562 0.91 MAPT (0.72) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11219565 0.91 MAPT (0.72) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11461975 0.91 MAPT (0.71) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11531363 0.91 MAPT (0.71) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11794482 0.90 MAPT (0.68) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11840773 0.90 MAPT (0.70) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11444223 0.90 MAPT (0.70) PTGS1MAPTTDP1NR1I2HPGD
SCHEMBL11840763 0.90 MAPT (0.70) PTGS1MAPTTDP1NR1I2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386199-A ANTIBIOTICS, BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1983-05-31 — — US disclosed
US-4142045-A ANTIBIOTICS, BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1979-02-27 — — US disclosed
US-4128723-A BACTERICIDE E. R. SQUIBB & SONS, INC. (US) 1978-12-05 — — US disclosed
US-4100344-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-07-11 — — US disclosed
US-4100345-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-07-11 — — US disclosed
US-4096329-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-06-20 — — US disclosed
US-4086422-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-04-25 — — US disclosed
US-4028354-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1977-06-07 — — US disclosed
US-4024135-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1977-05-17 — — US disclosed
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