SCHEMBL8780385

SCHEMBL8780385

CCCCCCCC1(C(C)=O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP3 P08254 1/20 0.37
NAAA Q02083 1/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL10429679 0.92 MMP2 (0.41) MMP2MMP9
SCHEMBL4181876 0.90 PPARG (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL4183418 0.90 PPARG (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL10440676 0.90 PPARG (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL9746013 0.90 PPARG (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL4184927 0.90 PPARG (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL9852424 0.89 NPC1 (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL11107744 0.85 PPARG (0.36) PPARGCES2CES1MMP2MMP9
SCHEMBL9852458 0.80 OPRM1 (0.39) PPARGCES2CES1MMP2MMP9
SCHEMBL4178922 0.78 TBXAS1 (0.34) PPARGKCNH2

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
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
EP-0384432-A1 Liquid crystalline compound and use thereof DAISO CO., LTD. (JP) 1990-08-29 EP disclosed