SCHEMBL8669680

SCHEMBL8669680

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
SLC15A2 Q16348 3/20 0.51
CYP3A4 P08684 3/20 0.51
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 2/20 0.51
BLM P54132 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR2B P41595 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
CACNA1B Q00975 1/20 0.41

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
SCHEMBL8669679 1.00 ALDH1A1 (0.51) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL8672437 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL8672439 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11056700 0.87 HSD17B10 (0.53) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10833692 0.87 HSD17B10 (0.53) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10858773 0.87 HSD17B10 (0.53) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10584406 0.87 HSD17B10 (0.53) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11056697 0.87 HSD17B10 (0.53) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11087012 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11087014 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10KMT2AMAPTSLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494914-B1 2-SPIROCYCLOPROPYL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LAB INC (CA) 1998-12-23 EP disclosed
US-5264430-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
US-5264429-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed