SCHEMBL12475428

SCHEMBL12475428

C[C]C(CCCC)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
OPRM1 P35372 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL12475358 0.83
SCHEMBL28162422 0.77 DNM1 (0.35) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL3675485 0.77 TSHR (0.42) DNM1OPRM1ALDH1A1TDP1TSHR
Iodide SCHEMBL553389 0.74 DNM1 (0.45) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL12475283 0.72
Phosphine SCHEMBL27384096 0.71 DNM1 (0.43) DNM1OPRM1ALDH1A1TDP1TSHR
Iodide SCHEMBL17431663 0.71 DNM1 (0.43) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL29531465 0.70 DNM1 (0.47) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL12475463 0.69 DNM1 (0.41) DNM1OPRM1ALDH1A1TDP1TSHR
Iodide SCHEMBL27547544 0.69 DNM1 (0.41) DNM1OPRM1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673323-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
EP-2673326-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING Valspar Sourcing, Inc. (US) 2013-12-18 EP disclosed
WO-2012161758-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-11-29 WO disclosed
WO-2012109278-A2 COATING COMPOSITIONS FOR CONTAINERS AND OTHER ARTICLES AND METHODS OF COATING VALSPAR SOURCING, INC. (US) 2012-08-16 WO disclosed