SCHEMBL8668720

SCHEMBL8668720

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.53
APBA1 Q02410 3/20 0.53
MAPK1 P28482 2/20 0.52
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 4/20 0.49
CYP2C19 P33261 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SLC15A2 Q16348 2/20 0.49
BLM P54132 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESR1 P03372 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL7348573 1.00 CACNA1B (0.53) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL8668723 1.00 CACNA1B (0.53) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL21594428 0.83 CACNA1B (0.54) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL3989912 0.81 HSD17B10 (0.60) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL9755481 0.81 HSD17B10 (0.60) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL7292106 0.81 CACNA1B (0.53) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL8714724 0.81 HSD17B10 (0.60) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL6275649 0.81 HSD17B10 (0.60) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL106017 0.81 HSD17B10 (0.60) CACNA1BAPBA1MAPK1KMT2AHSD17B10
SCHEMBL9755513 0.81 HSD17B10 (0.60) CACNA1BAPBA1MAPK1KMT2AHSD17B10

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 5 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
EP-0494914-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES INC. (CA) 1992-07-22 EP disclosed
WO-1991004977-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES, INC. (CA) 1991-04-18 WO disclosed