SCHEMBL7634384

SCHEMBL7634384

[CH2]CCCOOC(=O)c1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ELANE P08246 1/20 0.34
F2R P25116 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
GPR52 Q9Y2T5 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 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
SCHEMBL7632800 0.95 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL7633742 0.94 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL7625906 0.94 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL7628503 0.94 ALDH1A1 (0.33) CA12CA1CA2CA7CA9
SCHEMBL7625179 0.90 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL7635572 0.84 ALDH1A1 (0.33) TAS1R3TAS1R1TAS1R2ELANETDP1
SCHEMBL7629674 0.83 MEN1 (0.42) TDP1L3MBTL1CYP1A2RAB9ATSHR
SCHEMBL7632308 0.83 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7627158 0.83 ADRB2 (0.42) TDP1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL7631366 0.81 CA12 (0.46) CA12CA1CA2CA7CA9

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed