SCHEMBL5810641

SCHEMBL5810641

CCCCC(O)C(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
MAPT P10636 1/20 0.39
FAAH O00519 1/20 0.39
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.37
CTSK P43235 1/20 0.37
NAAA Q02083 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
SCHEMBL5807945 0.94 GPR84 (0.53) LMNAGPR84FFAR1CA1MAPT
SCHEMBL4981858 0.92 GPR84 (0.57) LMNAGPR84FFAR1MAPTFAAH
SCHEMBL1278226 0.92 GPR84 (0.57) LMNAGPR84FFAR1MAPTFAAH
SCHEMBL5810994 0.92 GPR84 (0.57) LMNAGPR84FFAR1MAPTFAAH
SCHEMBL5813360 0.92 GPR84 (0.57) LMNAGPR84FFAR1MAPTFAAH
SCHEMBL15876129 0.92 GPR84 (0.57) LMNAGPR84FFAR1MAPTFAAH
SCHEMBL1972397 0.87 LMNA (0.41) LMNAGPR84FFAR1CA2CA1
SCHEMBL2580544 0.83 GPR84 (0.45) GPR84FFAR1CA2CA1CYP3A4
SCHEMBL13692905 0.83 FFAR1 (0.48) LMNAGPR84FFAR1MAPTFAAH
SCHEMBL5809029 0.83 FFAR1 (0.48) LMNAGPR84FFAR1MAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
CN-102256927-A cyclohexane oxidation process byproduct derivatives and methods of use thereof INVISTA TECH SARL 2011-11-23 CN disclosed
CN-102256928-A Cyclohexane oxidation process byproduct stream derivatives and methods for using the same INVISTA TECH SARL 2011-11-23 CN disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed