SCHEMBL17653501

SCHEMBL17653501

CCOCC(C)(C)CC=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
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
SCHEMBL15653594 0.79 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5689294 0.77 L3MBTL1 (0.37) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL1698052 0.75 KMT2A (0.41) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL17111461 0.74 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL1276341 0.72 TSHR (0.40) ALDH1A1TSHRMAPK1
SCHEMBL21896357 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17106178 0.72 L3MBTL1 (0.41) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL8652771 0.72 L3MBTL1 (0.37) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL7767599 0.72 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL26754521 0.71 ALOX15 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523021-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2019-08-14 EP disclosed
WO-2018065481-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2018-04-12 WO disclosed
EP-3200755-A1 USE OF NOVEL CYCLIC CARBALDEYDES AS AN AROMATIC SUBSTANCE BASF SE (DE) 2017-08-09 EP disclosed
WO-2017060437-A1 METHOD FOR THE PURIFICATION OF CYCLOHEXADEC-8-EN-1-ONE BASF SE (DE) 2017-04-13 WO disclosed
WO-2016050836-A1 USE OF NOVEL CYCLIC CARBALDEYDES AS AN AROMATIC SUBSTANCE BASF SE (DE) 2016-04-07 WO disclosed