SCHEMBL8987498

SCHEMBL8987498

O=C1CCCCOOOC(=O)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
TRIM24 O15164 2/20 0.43
TRIM33 Q9UPN9 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL29528223 0.86 CA1 (0.48) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL15066125 0.83 TRIM24 (0.44) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL3747926 0.79
SCHEMBL28712569 0.77 CA1 (0.52) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL4484975 0.76
SCHEMBL17633099 0.76 TRIM24 (0.65) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL15798580 0.76 TRIM24 (0.65) CA1CA9TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL11770689 0.76 TRIM24 (0.65) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL756033 0.76 TRIM24 (0.50) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL4518212 0.75 CA1 (0.48) CA1CA9TRIM24TRIM33ALDH1A1

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-0719808-A1 Process for the preparation of low-fogging flexible polyester-polyurethane foams and the use of these foams WITCO (FR) 1996-07-03 EP disclosed