SCHEMBL11215223

SCHEMBL11215223

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(C(=O)Cc3ccccc3)c3cccs3)[C@H]2SC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.72
▸ MAPT P10636 9/20 0.68
▸ CTDSP1 Q9GZU7 3/20 0.68
▸ NR1I2 O75469 3/20 0.68
▸ HPGD P15428 2/20 0.68
▸ DNMT1 P26358 2/20 0.68
▸ SLC22A6 Q4U2R8 1/20 0.68
▸ SLC22A8 Q8TCC7 1/20 0.68
▸ SLC22A11 Q9NSA0 1/20 0.68
▸ PTGS1 P23219 1/20 0.65
▸ L3MBTL1 Q9Y468 4/20 0.60
▸ POLB P06746 5/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ PKM P14618 1/20 0.57

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
SCHEMBL11840773 0.91 MAPT (0.70) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11444223 0.91 MAPT (0.70) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11840763 0.91 MAPT (0.70) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11219562 0.88 MAPT (0.72) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11219565 0.88 MAPT (0.72) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11502736 0.88 MAPT (0.65) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11461975 0.87 MAPT (0.71) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11531363 0.87 MAPT (0.71) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11794482 0.86 MAPT (0.68) TDP1MAPTCTDSP1NR1I2HPGD
SCHEMBL11503047 0.86 PTGS1 (0.78) TDP1MAPTCTDSP1NR1I2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343937-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-08-10 — — US disclosed
US-4342869-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-08-03 — — US disclosed
US-4342757-A Cephalosporin antibiotic compositions MERCK & CO., INC. (US) 1982-08-03 — — US disclosed
US-4338437-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 — — US disclosed
US-4338438-A Cephalosporin antibiotics MERCK & CO., INC. (US) 1982-07-06 — — US disclosed
US-4324890-A ANTIBIOTICS, BACTERICIDES MERCK & CO., INC. (US) 1982-04-13 — — US disclosed
US-4297488-A 7-α-Methoxy cephalosporins MERCK & CO., INC. (US) 1981-10-27 — — US disclosed
US-4107432-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-08-15 — — US disclosed
US-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 — — US disclosed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 — — US disclosed
Send feedback