SCHEMBL6505903

SCHEMBL6505903

CC(=O)OC(OC(C)=O)C(C)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.64
MMP13 P45452 3/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
FFAR1 O14842 1/20 0.46
MME P08473 1/20 0.46
ACACB O00763 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MGLL Q99685 1/20 0.43
FDFT1 P37268 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL6505017 0.91 MMP12 (0.51) MMP12
SCHEMBL6506346 0.82 KMT2A (0.43) MMP12FFAR1ACACB
SCHEMBL6505454 0.80 ACACB (0.49) MMP12FFAR1ACACBFDFT1
SCHEMBL14088203 0.79 MMP12 (0.54) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5694346 0.78 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL14088202 0.78 MMP12 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8716757 0.76 MMP12 (0.56) MMP12FFAR1MMEACACBPDCD1
SCHEMBL8161050 0.76 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6501058 0.75 OPRM1 (0.47)
SCHEMBL14088148 0.75 MMP12 (0.70) MMP12MMP13MMP2MMP9MMP14

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