SCHEMBL9845530

SCHEMBL9845530

CCCCc1ccccc1C1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
BCHE P06276 4/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
NAAA Q02083 1/20 0.39
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL15568277 1.00 HTR1D (0.43) HTR1DHTR1BBCHECYSLTR2CYSLTR1
Formaldehyde SCHEMBL27876747 0.95 CYSLTR2 (0.42) HTR1DHTR1BBCHECYSLTR2CYSLTR1
SCHEMBL27472566 0.95 CYSLTR2 (0.47) HTR1DHTR1BBCHECYSLTR2CYSLTR1
SCHEMBL11278522 0.93 CYSLTR2 (0.49) HTR1DHTR1BBCHECYSLTR2CYSLTR1
SCHEMBL28076276 0.93 CYSLTR2 (0.49) HTR1DHTR1BBCHECYSLTR2CYSLTR1
SCHEMBL27472563 0.93 CYSLTR2 (0.48) HTR1DHTR1BBCHECYSLTR2CYSLTR1
SCHEMBL28857549 0.92 CYSLTR2 (0.40) HTR1DHTR1BBCHECYSLTR2CYSLTR1
SCHEMBL4825129 0.89 HTR1D (0.43) HTR1DHTR1BPTGDR2NAAAPTGS2
SCHEMBL27397494 0.87 HTR1D (0.44) HTR1DHTR1BPTGDR2NAAAPTGS2
Hydrochloric Acid SCHEMBL7994679 0.86 HTR1D (0.43) HTR1DHTR1BPTGDR2NAAAHTR2A

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-0453021-A1 Process for preparing a cycloalkanone and/or cycloalkanol DSM N.V. (NL) 1991-10-23 EP disclosed