SCHEMBL21064484

SCHEMBL21064484

CCC(C)(C(N)=O)C(C)(CC)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
FFAR3 O14843 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
SCHEMBL13157488 0.88 LMNA (0.32) ALOX15LMNAHSD17B10TDP1TSHR
SCHEMBL16300071 0.86 LMNA (0.35) ALOX15LMNAHSD17B10
SCHEMBL19920790 0.84 LMNA (0.30) LMNAHSD17B10
SCHEMBL19920565 0.84 LMNA (0.30) LMNAHSD17B10
SCHEMBL25710706 0.84 LMNA (0.30) LMNAHSD17B10
SCHEMBL17167523 0.78
SCHEMBL276535 0.75
SCHEMBL276842 0.75
SCHEMBL10352305 0.75 ALOX15 (0.35) ALOX15LMNAHSD17B10TDP1TSHR
SCHEMBL10093711 0.75

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-10312447-B2 Organic semiconductor element, manufacturing method thereof, compound, organic semiconductor composition, organic semiconductor film, and manufacturing method thereof FUJIFILM CORPORATION (JP) 2019-06-04 US disclosed