SCHEMBL1732836

SCHEMBL1732836

CCC[C@@](Br)(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1732567 1.00 MEN1 (0.35) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL1036503 1.00 MEN1 (0.35) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL10412072 0.90 HDAC1 (0.36) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL6045545 0.86 PPARD (0.38) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL6045650 0.84 PPARD (0.41) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL1449044 0.84
SCHEMBL28392031 0.83 MEN1 (0.34) MEN1CYP1A2KMT2AALDH1A1THRB
SCHEMBL11156087 0.82 PPARD (0.44) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL6931988 0.82 PPARD (0.44) MEN1KMT2AALDH1A1TDP1LCK
SCHEMBL7776233 0.82 PPARD (0.44) MEN1KMT2AALDH1A1TDP1LCK

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
EP-1852433-B1 CARBAZOLE DERIVATIVE, SOLVATE THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZERIA PHARM CO LTD (JP) 2011-11-23 EP disclosed