SCHEMBL8458271

SCHEMBL8458271

CNC(=O)CCCCCCCCCCCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
GAA P10253 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HSP90AA1 P07900 1/20 0.43
FAAH O00519 2/20 0.41
NAMPT P43490 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL16203505 1.00 GPR84 (0.50) GPR84FFAR1FFAR4GAAFNTA
SCHEMBL21341927 1.00 GPR84 (0.50) GPR84FFAR1FFAR4GAAFNTA
SCHEMBL20651364 1.00 GPR84 (0.50) GPR84FFAR1FFAR4GAAFNTA
SCHEMBL6539565 1.00 GPR84 (0.50) GPR84FFAR1FFAR4GAAFNTA
SCHEMBL8459215 1.00 GPR84 (0.50) GPR84FFAR1FFAR4GAAFNTA
SCHEMBL17258247 1.00 GPR84 (0.50) GPR84FFAR1FFAR4GAAFNTA
SCHEMBL806271 0.97
SCHEMBL775285 0.90
SCHEMBL5909431 0.89 HDAC3 (0.55) GAALMNAHDAC3HDAC1HDAC2
SCHEMBL5909483 0.89 HDAC3 (0.55) GAALMNAHDAC3HDAC1HDAC2

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
EP-0691327-B1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME KAO CORP (JP) 1999-07-21 EP disclosed
US-5723497-A AMINE ALCOHOL DERIVATIVES FOR WRINKLE RESISTNCE KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0691327-A1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME Kao Corporation (JP) 1996-01-10 EP disclosed