SCHEMBL6902537

SCHEMBL6902537

[AlH3].c1ccc(C(c2ccccc2)(c2ccccc2)C2CCCCO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL14300775 0.98 KEAP1 (0.37) KEAP1NFE2L2SMN1; SMN2GAACYP2D6
SCHEMBL8762985 0.76 KEAP1 (0.46) KEAP1NFE2L2SMN1; SMN2GAACYP1A2
SCHEMBL402551 0.74 GAA (0.39) KEAP1NFE2L2SMN1; SMN2GAACYP2D6
SCHEMBL14199593 0.74 GAA (0.39) SMN1; SMN2GAACYP2D6KDM4ENPC1
SCHEMBL30825836 0.73 TSHR (0.42) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL30825821 0.73 TSHR (0.42) CYP2D6KDM4ENPC1CYP1A2HPGD
SCHEMBL8762024 0.70 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2GAACYP2D6
SCHEMBL27461070 0.69 SLC6A2 (0.60) CYP2D6SLC6A3SLC6A2LMNAMEN1
SCHEMBL3508001 0.69 KCNN4 (0.36) SLC6A2
SCHEMBL9223044 0.68 MGLL (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723808-B2 POLYMERIZATION CATALYST ACTIVATOR COMPOSITIONS WHICH INCLUDE A CARBONIUM CATION AND AN ALUMINUM CONTAINING ANION, PREPARED BY COMBINING CARBONIUM OR TRITYL SOURCE WITH ALUMINUM CONTAINING COMPLEX, PREFERABLY A PERFLUOROPHENYLALUMINUM COMPOUND UNIVATION TECHNOLOGIES, LLC 2004-04-20 US disclosed
EP-1322678-A2 A CATALYST SYSTEM AND ITS USE IN A POLYMERIZATION PROCESS Univation Technologies LLC (US) 2003-07-02 EP disclosed
US-20030054947-A1 Catalyst system and its use in a polymerization process HOLTCAMP MATTHEW W (US) 2003-03-20 US disclosed
US-6495484-B1 COMBINING A CARBONIUM OR TRITYL SOURCE AND A PERFLUOROPHENYL-ALUMINUM COMPOUND FORMING POLYOLEFIN COMPLEX CATALYST UNIVATION TECHNOLOGIES, LLC 2002-12-17 US disclosed
WO-2002018452-A2 A METHOD FOR PREPARING A POLYMERISATION CATALYST ACTIVATOR, AND A POLYMERIZATION PROCESS USING SUCH AN ACTIVATOR UNIVATION TECHNOLOGIES, LLC (US) 2002-03-07 WO disclosed