SCHEMBL4887181

SCHEMBL4887181

CC(C)(C)C(=O)Oc1cccc(N)c1OC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.53
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL20306504 0.81 ELANE (0.54) ELANELMNAMAPTNPSR1MAPK1
SCHEMBL17938475 0.81 ELANE (0.54) ELANELMNAMAPTNPSR1SMN1; SMN2
SCHEMBL10909324 0.80 ELANE (0.46) ELANESMN1; SMN2MAPK1
SCHEMBL364665 0.79 ELANE (0.53) ELANELMNAMAPTNPSR1MAPK1
SCHEMBL31031255 0.79 ELANE (0.53) ELANELMNAMAPTNPSR1MAPK1
SCHEMBL29607284 0.77 ELANE (0.74) ELANELMNAMAPTNPSR1
SCHEMBL24926410 0.77 ELANE (0.53) ELANELMNAMAPTCA2SMN1; SMN2
SCHEMBL9297160 0.77 MAPK1 (0.61) LMNAMAPTTSHRSMN1; SMN2MAPK1
SCHEMBL28030915 0.75 ELANE (0.42) ELANELMNANPSR1CA2
SCHEMBL27615323 0.75 ADRB1 (0.42) LMNAMAPTTSHR

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
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO disclosed