SCHEMBL8391012

SCHEMBL8391012

CCC(=O)CC.CCN(CC)CC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 4/20 0.39
FFAR3 O14843 1/20 0.39
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
LMNA P02545 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
SOAT1 P35610 1/20 0.30
TSHR P16473 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL1887087 0.82
SCHEMBL42679 0.82
SCHEMBL2357325 0.82 TDP1 (1.00) TDP1ALDH1A1FFAR3LMNASOAT1
SCHEMBL6656901 0.81 TDP1 (0.50) TDP1ALDH1A1FFAR3CHRM2CHRM4
SCHEMBL13755285 0.81 TDP1 (0.50) TDP1ALDH1A1FFAR3CHRM2CHRM4
Propionic Acid SCHEMBL3414192 0.80 FFAR3 (0.67) TDP1ALDH1A1FFAR3CHRM2CHRM4
Propionic Acid SCHEMBL6546126 0.80 FFAR3 (0.67) TDP1ALDH1A1FFAR3CHRM2CHRM4
Butanone SCHEMBL10974410 0.80 ALDH1A1 (0.67) TDP1ALDH1A1FFAR3CHRM2CHRM4
SCHEMBL15813327 0.79 TDP1 (0.47) TDP1ALDH1A1FFAR3CHRM2CHRM4
Acetone SCHEMBL3715272 0.79 LMNA (0.46) TDP1ALDH1A1FFAR3CHRM2CHRM4

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-5962369-A CONTAINING SUBBING ALYER AND IMAGE DYE IN BINDER EASTMAN KODAK COMPANY (US) 1999-10-05 US disclosed