SCHEMBL28796188

SCHEMBL28796188

CCCCCC(CC)(CC)C(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.41
FFAR1 O14842 1/20 0.41
PPARD Q03181 3/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CES2 O00748 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
TLR2 O60603 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL11461309 0.98 GPR84 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL9346684 0.98 GPR84 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL7873967 0.98 GPR84 (0.44) GPR84FFAR1PPARDMAPTLCK
SCHEMBL20954015 0.89 CA2 (0.39) GPR84FFAR1PPARDMAPTLCK
SCHEMBL8676168 0.86 GPR84 (0.34) GPR84FFAR1PPARDMAPTLCK
SCHEMBL3642620 0.85 HDAC1 (0.37) GPR84FFAR1PPARDMAPTLCK
SCHEMBL20953994 0.80 HDAC1 (0.37) GPR84FFAR1PPARDMAPTLCK
SCHEMBL3061235 0.79 HDAC1 (0.38) GPR84FFAR1PPARDMAPTLCK
SCHEMBL28935314 0.79 GPR84 (0.41) GPR84FFAR1PPARDMAPTLCK
SCHEMBL16736963 0.77 HSPD1 (0.53) GPR84FFAR1PPARDMAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104784057-A Sunscreen compositions WYETH LLC 2015-07-22 CN disclosed
CN-102573766-B Sunscreen compositions WYETH LLC 2015-05-27 CN disclosed
CN-102573766-A Sunscreen compositions WYETH LLC 2012-07-11 CN disclosed