SCHEMBL2949873

SCHEMBL2949873

CCCCCCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1CCCCCC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.64
LPL P06858 12/20 0.64
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ROCK1 Q13464 1/20 0.36
F11 P03951 1/20 0.35
GPR3 P46089 1/20 0.35
ESR2 Q92731 1/20 0.33

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
SCHEMBL15146234 0.92 LIPG (0.56) LIPGLPLMEN1TP53CYP3A4
SCHEMBL26226714 0.86 LIPG (0.65) LIPGLPLMEN1TP53CYP3A4
SCHEMBL15172886 0.84 LPL (0.52) LIPGLPLMEN1TP53CYP3A4
SCHEMBL16257249 0.83 LIPG (0.49) LIPGLPLMAPTTDP1ROCK1
SCHEMBL19725104 0.82 LIPG (0.57) LIPGLPLROCK1F11ESR2
SCHEMBL16257241 0.81 LIPG (0.40) LIPGLPLMEN1TP53CYP3A4
SCHEMBL27172173 0.80 LIPG (0.55) LIPGLPLROCK1F11
SCHEMBL15138847 0.80 LIPG (0.64) LIPGLPLCYP3A4F11GPR3
SCHEMBL20233440 0.79 LIPG (0.64) LIPGLPLF11
SCHEMBL29726760 0.79 LIPG (0.56) LIPGLPLROCK1F11ESR2

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-7750112-B2 Polymers comprising benzotriazole for use in optical devices CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-06 US disclosed
US-20070043204-A1 Novel polymers comprising benzotriazole for use in optical devices CIBA SPECIALITY CHEMICALS CORP. 2007-02-22 US disclosed