SCHEMBL10831024

SCHEMBL10831024

CCCCCc1ccccc1CCBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.55
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
TLR8 Q9NR97 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 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
SCHEMBL10831236 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10830821 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10831175 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10830887 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10831457 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10831181 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10831910 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10831189 0.93 LIPG (0.47) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL30013600 0.89 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL82794 0.89 LIPG (0.65) LIPGNR1H2NR1H3ALOX5PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4633026-A DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR ETHYL CORPORATION (US) 1986-12-30 US disclosed