SCHEMBL4883986

SCHEMBL4883986

CCC(C)C(O)CCC(O)C(C)CC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
LMNA P02545 2/20 0.36
TRPA1 O75762 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL105914 0.91 TSHR (0.40) TSHRLMNATRPA1SPHK1
SCHEMBL14928533 0.88
SCHEMBL104882 0.88
SCHEMBL15887293 0.88
SCHEMBL2300150 0.85
SCHEMBL30987409 0.85 TRPV1 (0.52) TSHRLMNATRPA1TRPV1SPHK1
SCHEMBL14685937 0.84 TSHR (0.50) TSHRLMNATDP1ALDH1A1
SCHEMBL4882160 0.84 LMNA (0.38) TSHRLMNATRPA1
SCHEMBL107677 0.83 SPHK1 (0.48) TSHRLMNATRPA1TRPV1SPHK1
SCHEMBL31509114 0.83 SPHK1 (0.48) TSHRLMNATRPA1TRPV1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed
US-4133648-A ALKANEDIOLS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-01-09 US disclosed