SCHEMBL4447826

SCHEMBL4447826

C=CCON(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
LIG1 P18858 1/20 0.30

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
Hydrochloric Acid SCHEMBL11798219 0.72 MGAM (0.32) L3MBTL1
SCHEMBL693560 0.72
SCHEMBL6279980 0.68 ADRB2 (0.30)
SCHEMBL1892027 0.67 MEN1 (0.46) LMNAL3MBTL1
SCHEMBL2870616 0.67 L3MBTL1 (0.31) L3MBTL1
SCHEMBL14874720 0.66 ALDH1A1 (0.33) ALDH1A1TSHR
Pivalate SCHEMBL9055894 0.66 TDP1 (0.35) MAPTCACNA1BAPBA1ALDH1A1L3MBTL1
Pivalate SCHEMBL27810473 0.66 TSHR (0.34) MAPTCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL10720740 0.65 SMN1; SMN2 (0.37) MAPTCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL3065421 0.65 L3MBTL1 (0.40) ALDH1A1L3MBTL1

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-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed