SCHEMBL3683290

SCHEMBL3683290

CC(=O)CC(=O)CC=C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 1/20 0.32
CD81 P60033 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
HTT P42858 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
SCHEMBL3683286 1.00 KDM4E (0.43) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL474842 0.80 TRPA1 (0.38) TRPA1CD81CYP2C9PTGS1AKR1C3
SCHEMBL474840 0.80 TRPA1 (0.38) TRPA1CD81CYP2C9PTGS1AKR1C3
SCHEMBL8620252 0.79 TDP1 (0.41) CD81PTGS1AKR1C3FNTAFNTB
SCHEMBL8620248 0.79 TDP1 (0.41) CD81PTGS1AKR1C3FNTAFNTB
SCHEMBL1224393 0.78 KDM4E (0.50) KDM4EKDM6BKDM5CEGLN1PHF8
Acetone SCHEMBL5520081 0.78 TRPA1 (0.36) TRPA1CD81PTGS1AKR1C3
SCHEMBL6834676 0.76 FNTA (0.36) CD81FNTAFNTB
SCHEMBL28111433 0.76 HDAC3 (0.39) CD81FNTAFNTB
SCHEMBL2727259 0.75 ALDH1A1 (0.43) TRPA1CD81CYP2C9PTGS1AKR1C3

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-2180785-A2 USE OF HOMO- AND COPOLYMERS FOR STABILIZING ACTIVE INGREDIENT FORMULATIONS BASF SE (DE) 2010-05-05 EP disclosed
WO-2009007328-A2 USE OF HOMO- AND COPOLYMERS FOR STABILIZING ACTIVE INGREDIENT FORMULATIONS BASF SE (DE) 2009-01-15 WO disclosed