SCHEMBL6474528

SCHEMBL6474528

COc1ccc(COCC2CC2C(=O)OC2CC(C)CCC2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
HCRTR1 O43613 1/20 0.47
GLA P06280 1/20 0.47
IDE P14735 1/20 0.47
XBP1 P17861 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP19A1 P11511 2/20 0.46
HPGD P15428 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
MITF O75030 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 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
SCHEMBL6408773 0.90 ALDH1A1 (0.50) MAPK1NPSR1XBP1MAPTALDH1A1
SCHEMBL21610681 0.90 ALDH1A1 (0.50) MAPK1NPSR1XBP1MAPTALDH1A1
SCHEMBL21610591 0.90 ALDH1A1 (0.50) MAPK1NPSR1XBP1MAPTALDH1A1
SCHEMBL6406431 0.88 ALDH1A1 (0.47) MAPK1NPSR1TRPM8MAPTALDH1A1
SCHEMBL6407687 0.87 MAPK1 (0.44) MAPK1NPSR1TRPM8HCRTR1GLA
SCHEMBL6411229 0.85 CYP19A1 (0.45) MAPK1NPSR1TRPM8HCRTR1GLA
SCHEMBL6473488 0.85 CYP19A1 (0.45) MAPK1NPSR1TRPM8HCRTR1GLA
SCHEMBL6407542 0.83 ALDH1A1 (0.46) MAPK1NPSR1TRPM8HCRTR1GLA
SCHEMBL6408766 0.81 MAPK1 (0.46) MAPK1NPSR1TRPM8HCRTR1GLA
SCHEMBL6473933 0.81 MAPK1 (0.46) MAPK1NPSR1TRPM8HCRTR1GLA

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
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 EP disclosed