SCHEMBL9178292

SCHEMBL9178292

O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(O)CS[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 5/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 2/20 0.46
SLC15A2 Q16348 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2C9 P11712 2/20 0.46
BLM P54132 1/20 0.46
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL10840098 1.00 CTDSP1 (0.51) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL10840102 1.00 CTDSP1 (0.51) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9178288 1.00 CTDSP1 (0.51) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9477093 0.90 CTDSP1 (0.51) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL10491302 0.90 CTDSP1 (0.51) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11001684 0.90 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL10891461 0.90 ALDH1A1 (0.56) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11802853 0.90 MAPK1 (0.56) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL10891464 0.90 ALDH1A1 (0.56) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9477089 0.90 CTDSP1 (0.51) CTDSP1L3MBTL1ALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420269-A 3-fluorosulfonyloxyceph-3-em compounds BRISTOL-MYERS SQUIBB CO (US) 1995-05-30 US disclosed
US-5245027-A 3-FLUOROSULFONYLOXYCEPH-3-EM COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-14 US disclosed
US-5043439-A Alkylation; organo-copper reagents; 3-hydrocarbon substitution ; antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-27 US disclosed
EP-0431794-A2 3-Fluorosulfonyloxyceph-3-EM displacement process Bristol-Myers Squibb Company (US) 1991-06-12 EP disclosed
US-4440683-A Cyclization to form cephem ring and azetidinone intermediates therefor SHIONOGI & CO., LTD. (JP) 1984-04-03 US disclosed
US-4346218-A DECYCLIZATION OF AN AZETIDINOTHIAZOLINE SHIONOGI & CO., LTD. (JP) 1982-08-24 US disclosed
US-4332722-A BICYCLIC AZETIDINOTHIAZOLINES SHIONOGI & CO., LTD. (JP) 1982-06-01 US disclosed
US-4160085-A Cyclization to form cephem ring and intermediates therefor SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4079181-A INTERMEDIATES FOR 3-HYDROXY-3-CEPHEM COMPOUNDS SHIONOGI & CO., LTD. (JA) 1978-03-14 US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed