SCHEMBL5029026

SCHEMBL5029026

C=C(CCCCCC)C(=C)C(=C)C(=C)C(=C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
FAAH O00519 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SOAT1 P35610 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL3984615 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL1407233 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL5027330 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL27727796 1.00 CES2 (0.45) CES2CES1FAAHMEN1KMT2A
SCHEMBL123158 0.98 CES2 (0.43) CES2CES1FAAHMEN1KMT2A
SCHEMBL5038259 0.98 CES2 (0.46) CES2CES1FAAHMEN1KMT2A
SCHEMBL5031158 0.92 CES2 (0.48) CES2CES1FAAHMEN1KMT2A
SCHEMBL28557597 0.92 CES2 (0.48) CES2CES1FAAHMEN1KMT2A
SCHEMBL3738395 0.92 CES1 (0.41) CES2CES1FAAHMEN1KMT2A
SCHEMBL28374267 0.90 FAAH (0.62) FAAHMEN1KMT2ATP53CYP1A2

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