SCHEMBL18108331

SCHEMBL18108331

CCO[Si](Cl)(OC)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.38
CA4 P22748 1/20 0.38
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
RELA Q04206 1/20 0.32
KCNA3 P22001 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 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
SCHEMBL5027548 0.92 LTA4H (0.41) LTA4HCA4TSHRMAPTCHRNB2
SCHEMBL5029761 0.92 LTA4H (0.41) LTA4HCA4TSHRMAPTCHRNB2
SCHEMBL5032246 0.86 CA4 (0.46) LTA4HCA4TSHRKCNA3KDM4E
SCHEMBL5027493 0.86 CA4 (0.46) LTA4HCA4TSHRKCNA3KDM4E
SCHEMBL5032266 0.80 LTA4H (0.41) LTA4HCA4TSHRMAPTCHRNB2
SCHEMBL18108458 0.78 LTA4H (0.39) LTA4HCA4TSHRMAPTCHRNB2
SCHEMBL29222960 0.78 LTA4H (0.39) LTA4HCA4TSHRMAPTCHRNB2
SCHEMBL5031033 0.77 LTA4H (0.40) LTA4HCA4CHRNB2CHRNB4CHRNA3
SCHEMBL18108389 0.77 LTA4H (0.38) LTA4HCA4TSHRMAPTCHRNB2
SCHEMBL18108090 0.77 LTA4H (0.38) LTA4HCA4TSHRMAPTCHRNB2

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-9884928-B2 Polymers functionalized with activated nitrogen heterocycles containing a pendant functional group BRIDGESTONE CORPORATION (JP) 2018-02-06 US disclosed
US-20160289354-A1 POLYMERS FUNCTIONALIZED WITH ACTIVATED NITROGEN HETEROCYCLES CONTAINING A PENDANT FUNCTIONAL GROUP BRIDGESTONE CORPORATION (JP) 2016-10-06 US disclosed