SCHEMBL5027339

SCHEMBL5027339

C=NC(=O)C(=C)C(=C)C(=C)CCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.43
CES2 O00748 4/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5029034 0.98 CES1 (0.42) CES1CES2GPR84PPARGPPARD
SCHEMBL626654 0.98 CES1 (0.42) CES1CES2GPR84PPARGPPARD
SCHEMBL17835451 0.96 CES2 (0.40) CES1CES2GPR84PPARGPPARD
SCHEMBL5038264 0.94 CES1 (0.45) CES1CES2GPR84PPARGPPARD
SCHEMBL29016977 0.91 CES1 (0.38) CES1CES2ALDH1A1MEN1KMT2A
SCHEMBL21439570 0.91 CES1 (0.38) CES1CES2ALDH1A1MEN1KMT2A
SCHEMBL5031166 0.90 CES1 (0.48) CES1CES2GPR84PPARGPPARD
SCHEMBL10823979 0.82 CES2 (0.33) CES1CES2TSHRALDH1A1
SCHEMBL2463748 0.77 GPR84 (0.50) CES1CES2GPR84PPARGPPARD
SCHEMBL28419411 0.77 GPR84 (0.50) CES1CES2GPR84PPARGPPARD

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
EP-2059143-B1 TOOTHBRUSH WITH INCLINED BRISTLES AND POINTED BRISTLES GABA INTERNATIONAL AG (CH) 2013-04-03 EP claimed
US-8239996-B2 Toothbrush comprising inclined and tapered bristles GABA INTERNATIONAL AG (CH) 2012-08-14 US disclosed
US-20080271276-A1 Toothbrush Comprising Inclined and Tapered Bristles GABA INTERNATIONAL AG (CH) 2008-11-06 US disclosed