SCHEMBL16628708

SCHEMBL16628708

COCCC1(C(=O)O)CCC(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 5/20 0.35
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PTGS1 P23219 1/20 0.32
ITGB1 P05556 4/20 0.31
ITGA4 P13612 4/20 0.31
ITGB7 P26010 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29117284 0.85 MAPK1 (0.37) KDM4EMAPK1L3MBTL1MEN1MAPT
SCHEMBL31435809 0.81 KCNA3 (0.33) KCNA3MEN1KMT2A
SCHEMBL3877084 0.81 CYP2C19 (0.47) KDM4EMAPK1PTGS1ITGB1ITGA4
SCHEMBL4518 0.80 MAPK1 (0.52) KDM4EMAPK1L3MBTL1MEN1MAPT
SCHEMBL19767 0.79 CPB2 (0.35) KCNA3MEN1KMT2A
SCHEMBL28278251 0.79 CYP2C19 (0.50) KDM4EMAPK1PTGS1ITGB1ITGA4
SCHEMBL17049040 0.76 CPB2 (0.39) KDM4EMEN1KMT2A
SCHEMBL30342289 0.76 KMT2A (0.33) KDM4EMAPK1L3MBTL1MEN1MAPT
SCHEMBL28683771 0.76 CYP4F2 (0.38) KDM4EMAPK1L3MBTL1MEN1MAPT
SCHEMBL25174478 0.75 MAPK1 (0.41) KDM4EMAPK1L3MBTL1MEN1MAPT

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-2688881-B1 NEW AZASPIRODECANONE COMPOUNDS AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2016-02-10 EP disclosed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed