SCHEMBL9259995

SCHEMBL9259995

C=CC(OC(C=C)c1cc(C)ccc1Cl)c1cc(C)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALKBH3 Q96Q83 1/20 0.31
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16951032 0.79 HTR2A (0.36) HTR2ASLC6A4KCNH2HPGDMAPT
SCHEMBL10357809 0.78 TDP1 (0.34) ALDH1A1
SCHEMBL9252331 0.73 IDO1 (0.40) SLC6A4MAPTL3MBTL1ALDH1A1CYP2C9
SCHEMBL16954242 0.71 KCNH2 (0.41) HTR2ASLC6A4KCNH2HPGDMAPT
SCHEMBL2737284 0.70 LMNA (0.50) HTR2ASLC6A4KCNH2HPGDMAPT
SCHEMBL1988983 0.69 KCNH2 (0.38) HTR2ASLC6A4KCNH2HPGDMAPT
SCHEMBL28381315 0.69 CHRNA7 (0.43) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL28899530 0.66 ESR1 (0.34)
SCHEMBL7492439 0.66 ESR1 (0.54) HTR2ASLC6A4KCNH2MAPTALDH1A1
SCHEMBL16950424 0.66 ALKBH3 (0.35) HTR2ASLC6A4KCNH2HPGDMAPT

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
US-5380654-A Process for the preparation of epoxides of means of microorganisms JAPAN ENERGY CORPORATION (JP) 1995-01-10 US claimed