Cyclohexene

Cyclohexene

SCHEMBL8664894

C1=CCCCC1.C=C(C)C(=O)O.C=C(C)C(=O)O

nearest known ligand 0.35

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.31
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
Cyclohexene SCHEMBL2937014 1.00 TDP1 (0.35) TDP1ALDH1A1FFAR3LCKFYN
Cyclooctene SCHEMBL1627602 0.97 TDP1 (0.33) TDP1
Methacrylic Acid SCHEMBL10397426 0.97 TDP1 (0.33) TDP1
Cyclooctene SCHEMBL1627600 0.97 TDP1 (0.33) TDP1
Methacrylic Acid SCHEMBL3674253 0.95 TDP1 (0.35) TDP1ALDH1A1FFAR3LCKFYN
Methacrylic Acid SCHEMBL27648805 0.95 TDP1 (0.35) TDP1ALDH1A1FFAR3LCKFYN
Methacrylic Acid SCHEMBL27889970 0.92 TDP1 (0.33) TDP1
Methacrylic Acid SCHEMBL28392098 0.88 TDP1 (0.31) TDP1
Methacrylic Acid SCHEMBL1614485 0.88 TDP1 (0.31) TDP1
Cyclohexene SCHEMBL20838543 0.86 FFAR3 (0.32) TDP1FFAR3LCKFYN

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-5814687-A MAGNETIC PARTICLES WITH POLYMERS JSR CORPORATION (JP) 1998-09-29 US disclosed