SCHEMBL6503482

SCHEMBL6503482

CC(=O)NC(CCCCc1ccc(-c2ccccc2)cc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.45
HDAC1 Q13547 1/20 0.44
MMP12 P39900 3/20 0.41
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MGLL Q99685 5/20 0.40
SLC6A2 P23975 1/20 0.39
MMP13 P45452 1/20 0.39
FFAR1 O14842 2/20 0.39
FAAH O00519 1/20 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
SCHEMBL8499575 0.91 ALDH1A1 (0.43) HDAC2HDAC1FAAH
SCHEMBL8499772 0.91 ALDH1A1 (0.43) HDAC2HDAC1FAAH
SCHEMBL8496246 0.91 ALDH1A1 (0.43) HDAC2HDAC1FAAH
SCHEMBL5399646 0.91 MMP12 (0.44) HDAC2HDAC1MMP12MCHR1HRH3
SCHEMBL6508362 0.89 RARB (0.48) FAAH
SCHEMBL6502423 0.89 RARB (0.45) FAAH
SCHEMBL8499606 0.86 POLB (0.42) FAAH
SCHEMBL8498944 0.85 TNNC1 (0.45) SLC6A2FAAH
SCHEMBL8499405 0.85 TNNC1 (0.42) FAAH
SCHEMBL8499864 0.85 TNNC1 (0.45) SLC6A2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed