SCHEMBL13061577

SCHEMBL13061577

CCCC/C=C(\C)CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
TSHR P16473 2/20 0.39
GRIK1 P39086 1/20 0.38
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
CES1 P23141 2/20 0.34
CES2 O00748 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL29376695 0.84 EP300 (0.45) EP300TSHRGRIK1F7F3
SCHEMBL28958488 0.81 POLB (0.44) EP300TSHRGRIK1ALDH1A1POLB
SCHEMBL22199302 0.81 EP300 (0.35) EP300TSHRGRIK1F7F3
SCHEMBL1782422 0.80 ALDH1A1 (0.43) EP300TSHRGRIK1F7F3
SCHEMBL1782421 0.80 ALDH1A1 (0.43) EP300TSHRGRIK1F7F3
SCHEMBL13025501 0.78 GRIK1 (0.43) EP300TSHRGRIK1F7F3
SCHEMBL10385774 0.78 EP300 (0.53) EP300F7F3ALDH1A1TDP1
SCHEMBL10385775 0.78 EP300 (0.53) EP300F7F3ALDH1A1TDP1
SCHEMBL11406196 0.77 TSHR (0.39) EP300TSHRGRIK1ALDH1A1CCR2
SCHEMBL11406195 0.77 TSHR (0.39) EP300TSHRGRIK1ALDH1A1CCR2

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
US-20100317085-A1 CO-INCUBATING CONFINED MICROBIAL COMMUNITIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed