SCHEMBL8626033

SCHEMBL8626033

CCC(C)CNc1cccc(B(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.40
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
ENPP2 Q13822 6/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
KDR P35968 2/20 0.34

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
SCHEMBL3785277 0.80 LPL (0.46) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL15934237 0.79 ALDH1A1 (0.45) NLRP3KDM4EALDH1A1
SCHEMBL10448437 0.76 ENPP2 (0.43) NLRP3ENPP2KDM4EALDH1A1MGLL
SCHEMBL21799972 0.76 MAPT (0.43) KDM4EALDH1A1
SCHEMBL10448436 0.75 ENPP2 (0.42) NLRP3ENPP2KDM4EALDH1A1MGLL
SCHEMBL30991603 0.75 LIPG (0.49) NLRP3LPLLIPGMGLLTRPV1
SCHEMBL4602668 0.74 LPL (0.53) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL489425 0.74 MAPT (0.47) ALDH1A1
SCHEMBL15150688 0.73 ENPP2 (0.46) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL15981403 0.73 TDP1 (0.48) NLRP3LPLLIPGENPP2KDM4E

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-0626016-B1 CHEMILUMINESCENT ENHANCERS BRITISH TECH GROUP (GB) 1998-06-03 EP disclosed
EP-0626016-A1 CHEMILUMINESCENT ENHANCERS BTG INTERNATIONAL LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016195-A1 CHEMILUMINESCENT ENHANCERS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-08-19 WO disclosed