SCHEMBL28014163

SCHEMBL28014163

CCCCCCCCCCC(CCCCCCCC)COC(=O)C(O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.54
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL28958335 0.95 GPR84 (0.49) GPR84FFAR1FFAR4PRSS1PRSS2
SCHEMBL2036656 0.87 RECQL (0.51) GPR84FFAR1PRSS1PRSS2PRSS3
SCHEMBL11655596 0.87 RECQL (0.51) GPR84FFAR1PRSS1PRSS2PRSS3
SCHEMBL1389534 0.87 CYP3A4 (0.57) GPR84PRSS1PRSS2PRSS3TSHR
SCHEMBL1695574 0.86 GPR84 (0.55) GPR84FFAR1FFAR4PRSS1PRSS2
SCHEMBL28264311 0.86 CYP3A4 (0.55) GPR84PRSS1PRSS2PRSS3TSHR
SCHEMBL6557496 0.86 RECQL (0.54) GPR84FFAR1PRSS1PRSS2PRSS3
SCHEMBL10799754 0.83 LMNA (0.52) GPR84FFAR1PRSS1PRSS2PRSS3
SCHEMBL6664875 0.83 LMNA (0.52) GPR84FFAR1PRSS1PRSS2PRSS3
SCHEMBL258068 0.83 LMNA (0.52) GPR84FFAR1PRSS1PRSS2PRSS3

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
CN-103153276-B Comprise the cosmetic composition of super molecular compound and the specific oil can setting up hydrogen bond L'OREAL (FR) 2015-09-30 CN claimed
CN-103153276-B Comprise the cosmetic composition of super molecular compound and the specific oil can setting up hydrogen bond L'OREAL (FR) 2015-09-30 CN disclosed