SCHEMBL29099563

SCHEMBL29099563

Br[Mg]Br.[c]1ccc(C2CCCCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
ESR2 Q92731 6/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SLC18A3 Q16572 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
POLB P06746 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
ESR1 P03372 5/20 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
SCHEMBL22833 0.91 CYP11B2 (0.42) CYP11B2ESR2LMNAHTTSLC18A3
SCHEMBL28632991 0.91 POLB (0.39) ESR2SLC18A3POLBESR1CYP3A4
SCHEMBL2911926 0.91 CYP11B2 (0.42) CYP11B2ESR2LMNAHTTSLC18A3
SCHEMBL5543159 0.91 CYP11B2 (0.42) CYP11B2ESR2LMNAHTTSLC18A3
SCHEMBL676555 0.91 CYP11B2 (0.42) CYP11B2ESR2LMNAHTTSLC18A3
SCHEMBL27452122 0.89 CYP11B2 (0.41) CYP11B2ESR2LMNAHTTSLC18A3
SCHEMBL21538 0.89 ESR2 (0.42) CYP11B2ESR2LMNAHTTSLC18A3
Fluoromethane SCHEMBL28164137 0.85 CYP11B2 (0.38) CYP11B2ESR2LMNAHTTSLC18A3
SCHEMBL43455 0.84 ESR2 (0.47) CYP11B2ESR2SLC18A3HDAC1HDAC8
SCHEMBL6578876 0.82 POLB (0.46) ESR2SLC18A3POLBESR1CYP2D6

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
CN-115611705-A Method for synthesizing fluorene tertiary alcohol 南京邮电大学 2023-01-17 CN disclosed