SCHEMBL4639413

SCHEMBL4639413

CCCCCCCCc1ccccc1-c1cccc2[nH]nnc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KCNH2 Q12809 1/20 0.37
PTGS2 P35354 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
GPR3 P46089 1/20 0.35

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
SCHEMBL29565391 1.00 LIPG (0.41) LIPGNR1H2NR1H3KCNH2PTGS2
SCHEMBL7561301 0.99 NR1H2 (0.39) LIPGNR1H2NR1H3KCNH2PTGS2
SCHEMBL29538435 0.94 NR1H2 (0.34) LIPGNR1H2NR1H3
SCHEMBL9068079 0.88 ALOX5 (0.44) LIPGNR1H2NR1H3PTGS2BID
SCHEMBL461413 0.87 LIPG (0.42) LIPGKCNH2PTGS2BIDMCL1
SCHEMBL8633987 0.87 LIPG (0.42) LIPGKCNH2PTGS2BIDMCL1
SCHEMBL460020 0.87 LIPG (0.42) LIPGKCNH2PTGS2BIDMCL1
SCHEMBL28479318 0.87 LIPG (0.42) LIPGKCNH2PTGS2BIDMCL1
SCHEMBL29743329 0.87 LIPG (0.42) LIPGKCNH2PTGS2BIDMCL1
SCHEMBL8406883 0.87 LIPG (0.42) LIPGKCNH2PTGS2BIDMCL1

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-1893301-A1 LOW-RESIDUE DEODORANT OR ANTIPERSPIRANT STICK BASED ON AN ETHANOL-CONTAINING OIL-IN-WATER DISPERSION/EMULSION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-03-05 EP disclosed
US-7227158-B1 Stick-on self-indicating instant radiation dosimeter JP LABS, INC. (US) 2007-06-05 US disclosed
WO-2006136330-A1 LOW-RESIDUE DEODORANT OR ANTIPERSPIRANT STICK BASED ON AN ETHANOL-CONTAINING OIL-IN-WATER DISPERSION/EMULSION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-28 WO disclosed