SCHEMBL6469645

SCHEMBL6469645

COc1ccccc1C(=O)N[C@]1(OC)ON2C(C(=O)O)=C(CSc3nnnn3C)CC[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 16/20 0.53
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
PTGS1 P23219 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
PPARG P37231 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39

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
SCHEMBL6438726 0.76 CMA1 (0.82) CMA1F2PRSS1ELANECTSG
SCHEMBL6453077 0.69 CMA1 (0.61) CMA1F2PRSS1ELANECTSG
SCHEMBL6453073 0.69 CMA1 (1.00) CMA1F2PRSS1ELANECTSG
SCHEMBL6471075 0.68 CMA1 (0.77) CMA1F2PRSS1ELANECTSG
SCHEMBL6459484 0.68 CMA1 (0.88) CMA1F2PRSS1ELANECTSG
SCHEMBL11233550 0.65 SLC22A6 (0.72) HSD17B10NR1I2PGRPPARGSLC22A6
SCHEMBL10972349 0.62 KMT2A (0.65) LMNAMEN1KMT2AHSD17B10
SCHEMBL11543531 0.61 IDE (0.72) CMA1LMNAHSD17B10
SCHEMBL11523419 0.61 IDE (0.72) CMA1LMNAHSD17B10
SCHEMBL11699221 0.61 IDE (0.72) CMA1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed