SCHEMBL5374701

SCHEMBL5374701

CCCCC(CC)OCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
PAM P19021 2/20 0.40
CTSK P43235 1/20 0.40
GPR84 Q9NQS5 4/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1B1 P15121 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL8689912 0.94 GPR84 (0.44) CA2MAPK1PAMGPR84AKR1B1
Hydrochloric Acid SCHEMBL8692884 0.92 GPR84 (0.43) CA2MAPK1PAMGPR84AKR1B1
SCHEMBL13672285 0.88 HDAC1 (0.39) CA2MAPK1PRKCAPRKCDPAM
SCHEMBL6496314 0.83 FFAR3 (0.38) PAMTSHR
SCHEMBL10888547 0.82 CTSK (0.36) CTSKTSHR
SCHEMBL11190230 0.79 HDAC1 (0.42) PRKCAPRKCDPAMCTSKGPR84
SCHEMBL16669008 0.78 CA2 (0.42) CA2MAPK1CA1PAMGPR84
SCHEMBL25612553 0.78 PAM (0.33) PAMTSHRATM
SCHEMBL9478952 0.77 GPR84 (0.43) PAMGPR84FFAR4
SCHEMBL9478584 0.77 GPR84 (0.43) PAMGPR84FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157411-B2 Odor neutralizers SYMRISE GMBH & CO. KG (DE) 2007-01-02 US disclosed
EP-1239890-B1 ODOR NEUTRALIZERS SYMRISE GMBH & CO KG (DE) 2004-11-10 EP disclosed