SCHEMBL2811697

SCHEMBL2811697

CCCCCCCCCc1c(C)ccc2ccccc12.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
TLR8 Q9NR97 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL2125169 0.98 CYP1A2 (0.47) NCEH1CYP1A2CYP2A6TSHRTLR8
SCHEMBL2127033 0.98 CYP1A2 (0.47) NCEH1CYP1A2CYP2A6TSHRTLR8
SCHEMBL8671922 0.98 CYP1A2 (0.47) NCEH1CYP1A2CYP2A6TSHRTLR8
Ammonia Solution, Strong SCHEMBL27937769 0.97 NCEH1 (0.46) NCEH1CYP1A2CYP2A6TSHRTLR8
Ammonia Solution, Strong SCHEMBL27919209 0.97 NCEH1 (0.46) NCEH1CYP1A2CYP2A6TSHRTLR8
SCHEMBL2811698 0.97 NCEH1 (0.46) NCEH1CYP1A2CYP2A6TSHRTLR8
SCHEMBL2125551 0.96 CYP1A2 (0.48) NCEH1CYP1A2CYP2A6TSHRTLR8
SCHEMBL2846325 0.91 NCEH1 (0.52) NCEH1CYP1A2CYP2A6TSHRMAPT
Ammonia Solution, Strong SCHEMBL28807529 0.89 NCEH1 (0.51) NCEH1CYP1A2CYP2A6TSHRMAPT
SCHEMBL2127430 0.85 CYP1A2 (0.52) NCEH1CYP1A2CYP2A6TSHRMAPT

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-2207416-B1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM IMERYS FILTRATION MINERALS INC (US) 2018-11-07 EP disclosed
US-20100239679-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2010-09-23 US disclosed
EP-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed