SCHEMBL907893

SCHEMBL907893

[Li]C(CCC(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RIPK1 Q13546 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TTR P02766 1/20 0.38
CYP3A4 P08684 1/20 0.36
AOC3 Q16853 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
KIF11 P52732 3/20 0.34

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
SCHEMBL50795 0.79 KCNN4 (0.41) CYP2D6ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL5307273 0.79 HRH1 (0.45) CYP2D6ALDH1A1CYP2C19RIPK1MEN1
SCHEMBL6681496 0.77 TAAR1 (0.50) CYP2D6ALDH1A1CYP2C19HSD17B10RIPK1
SCHEMBL8006703 0.76 KCNN4 (0.41) CYP2D6CYP2C19HSD17B10MEN1KMT2A
SCHEMBL12356880 0.75 ALDH1A1 (0.41) CYP2D6ALDH1A1CYP2C19HSD17B10RIPK1
SCHEMBL872854 0.73 CYP2C19 (0.46) CYP2D6ALDH1A1CYP2C19HSD17B10RIPK1
Ammonia Solution, Strong SCHEMBL6230799 0.73 ALDH1A1 (0.39) CYP2D6ALDH1A1CYP2C19HSD17B10RIPK1
SCHEMBL17965831 0.73 CYP2D6 (0.35) CYP2D6ALDH1A1CYP2C19HSD17B10RIPK1
SCHEMBL8416734 0.72 KIF11 (0.41) MEN1KMT2ATAAR1KIF11
SCHEMBL11436523 0.72 KCNN4 (0.39) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1

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
US-20110015349-A1 End-capped polymer chains and products thereof UNIVERSITY OF MASSACHUSETTS LOWELL (US) 2011-01-20 US claimed
US-20080275202-A1 End-Capped Polymer Chains and Products Thereof UNIVERSITY OF MASSACHUSETTS (US) 2008-11-06 US claimed
US-20050176903-A1 End-capped polymer chains and products thereof MASSACHUSETTS LOWELL, UNIVERSITY OF 2005-08-11 US claimed