SCHEMBL27935293

SCHEMBL27935293

[CH2]c1c(C2c3ccccc3-c3ccccc32)cccc1C1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
GPR3 P46089 2/20 0.39
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ACHE P22303 2/20 0.32
CHRM2 P08172 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
SCHEMBL4022049 0.77 HTR2A (0.46) HTR2AGPR3HDAC3HDAC4HDAC7
SCHEMBL1304934 0.74 HTR2A (0.48) HTR2AGPR3HDAC3HDAC4HDAC7
SCHEMBL29490167 0.74 HTR2A (0.48) HTR2AGPR3HDAC3HDAC4HDAC7
SCHEMBL28553079 0.73 HTR2A (0.43) HTR2AGPR3HDAC3HDAC4HDAC7
SCHEMBL2594422 0.72 ALDH1A1 (0.50) HTR2AGPR3ADRA2AADRA1AALDH1A1
SCHEMBL3630933 0.72 ALDH1A1 (0.52) HTR2AGPR3HDAC3HDAC4HDAC7
SCHEMBL6675754 0.71 KDM1A (0.53) HTR2ACYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL16481156 0.71 KDM1A (0.48) HTR2ACA1CA2CYP1A2ALDH1A1
SCHEMBL3831153 0.71 ALDH1A1 (0.46) HTR2AGPR3CA1CA2ALDH1A1
SCHEMBL29116619 0.70 HTR2A (0.50) HTR2AGPR3HDAC3HDAC4HDAC7

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-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN disclosed