SCHEMBL9751193

SCHEMBL9751193

Oc1ccccc1CCCCCCCCC(Br)Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
MPO P05164 5/20 0.47
SLC6A4 P31645 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSPA5 P11021 1/20 0.43
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
IAPP P10997 1/20 0.39

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
SCHEMBL4619731 0.92 MPO (0.50) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL2878200 0.86 LIPG (0.38) MGLLBIDBCL2L1MCL1BAK1
SCHEMBL2878774 0.86 LIPG (0.38) MGLLBIDBCL2L1MCL1BAK1
SCHEMBL2876410 0.86 LIPG (0.38) MGLLBIDBCL2L1MCL1BAK1
SCHEMBL4618534 0.84 TAAR1 (0.54) MPOSLC6A4TAAR1HSPA5CA12
SCHEMBL2876025 0.84 LIPG (0.35) MGLLMPOSLC6A4TAAR1BID
SCHEMBL8401990 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8402231 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8400524 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL8398317 0.84 MGLL (0.66) MGLLMPOSLC6A4TAAR1HSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388445-A4 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS 1991-07-03 EP disclosed
EP-0388445-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-09-26 EP disclosed
WO-1990000165-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-01-11 WO disclosed
US-4891449-A FIREPROOFING PLASTICS GREAT LAKES CHEMICAL CORPORATION (US) 1990-01-02 US disclosed