SCHEMBL9475868

SCHEMBL9475868

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@@H]2SC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
SLC15A2 Q16348 2/20 0.56
BLM P54132 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGD P15428 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
PLCG1 P19174 1/20 0.51
ESR1 P03372 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL11802853 1.00 MAPK1 (0.56) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL11001684 1.00 MAPK1 (0.56) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL10975799 1.00 MAPK1 (0.56) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL9475863 1.00 MAPK1 (0.56) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL9178292 0.90 CTDSP1 (0.51) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL10840102 0.90 CTDSP1 (0.51) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL10840098 0.90 CTDSP1 (0.51) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL9178288 0.90 CTDSP1 (0.51) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL9479882 0.90 CTDSP1 (0.51) MAPK1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL9477097 0.90 CTDSP1 (0.55) MAPK1ALDH1A1HSD17B10KMT2AMAPT

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-5266691-A Processes for making cephems from allenylazetidinone derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1993-11-30 US disclosed
US-5162524-A Antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1992-11-10 US disclosed
US-5043439-A Alkylation; organo-copper reagents; 3-hydrocarbon substitution ; antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-27 US disclosed
EP-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 EP disclosed
US-4429128-A CARBAPENICILLINS, THIENAMYCINS, BACTERICIDES PFIZER INC. (US) 1984-01-31 US disclosed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 EP disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4017488-A Process for preparing 7β-acylamino-7α-alkoxycephalosporins SANKYO COMPANY LIMITED (JA) 1977-04-12 US disclosed