SCHEMBL27808490

SCHEMBL27808490

CCOc1cccc2ccccc12.[KH]

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.59
TSHR P16473 1/20 0.58
HTR1D P28221 2/20 0.58
SLC6A4 P31645 2/20 0.56
HRH1 P35367 1/20 0.56
KCNA3 P22001 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL45343 0.98 HTR1B (0.61) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL27808393 0.96 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL27808344 0.96 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL27464937 0.96 HTR1B (0.59) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL9482954 0.92 HTR1B (0.56) HTR1BTSHRHTR1DSLC6A4HRH1
Toluene SCHEMBL28016412 0.89 KCNA3 (0.53) HTR1BTSHRHTR1DSLC6A4HRH1
Bicarbonate SCHEMBL28340995 0.89 ALDH1A1 (0.67) HTR1BTSHRHTR1DKCNA3KDM4E
SCHEMBL29111560 0.87 HTR1B (0.54) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL21122175 0.86 HPRT1 (0.52) HTR1BTSHRHTR1DSLC6A4HRH1
SCHEMBL9872788 0.86 HPRT1 (0.52) HTR1BTSHRHTR1DSLC6A4HRH1

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-101796060-A Process for preparing dihydrocarbyl hydrocarbonphosphonates ALBEMARLE CORP 2010-08-04 CN disclosed