SCHEMBL14836313

SCHEMBL14836313

CC(C)(CC1CO1)NC(C)(C)CC1CO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL1262495 0.75
SCHEMBL16089589 0.75
SCHEMBL18094445 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1TP53
SCHEMBL26915743 0.72 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL27219303 0.72 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL991393 0.70
SCHEMBL13848624 0.70
SCHEMBL4273659 0.70
SCHEMBL9221321 0.69 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL19866345 0.69 TSHR (0.36) ALDH1A1TSHRMAPK1TDP1

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
EP-2576702-A1 USE OF SURFACE-MODIFIED EFFECT PIGMENTS IN A SOLVENT-FREE COATING AGENT, SOLVENT-FREE COATING AGENT AND COATED OBJECT Eckart GmbH (DE) 2013-04-10 EP disclosed