SCHEMBL22907482

SCHEMBL22907482

C=C1CCCCCC(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL11892331 1.00 TSHR (0.43) TSHRCA1CA9TRIM24TRIM33
SCHEMBL8759010 0.97
SCHEMBL5357477 0.92
SCHEMBL10687472 0.87 CA1 (0.64) TSHRCA1CA9ALDH1A1LMNA
SCHEMBL1696771 0.81 TSHR (0.45) TSHRCA1CA9TRIM24TRIM33
SCHEMBL451822 0.80
SCHEMBL5324654 0.80 TSHR (0.67) TSHRCA1CA9TRIM24TRIM33
SCHEMBL449061 0.80 TSHR (0.67) TSHRCA1CA9TRIM24TRIM33
SCHEMBL1014174 0.80 TSHR (0.67) TSHRCA1CA9TRIM24TRIM33
SCHEMBL5322089 0.80 TSHR (0.67) TSHRCA1CA9TRIM24TRIM33

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
WO-2021009154-A1 CARBOXYTERMINATED DIENE RUBBERS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-01-21 WO disclosed