SCHEMBL11209078

SCHEMBL11209078

O=C1CCCCC(=O)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 3/20 0.33
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP2A6 P11509 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL10603313 0.85 TSHR (0.53) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL23754669 0.78 TSHR (0.71) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL320487 0.78
SCHEMBL1014174 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL5324654 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL4197788 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL449061 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL5322089 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL180355 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24
SCHEMBL5492137 0.76 TSHR (0.67) TSHRCA1CA9ALDH1A1TRIM24

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365086-A CURING AGENTS FOR THERMOPLASTIC ELASTOMERS PENNWALT CORPORATION (US) 1982-12-21 US disclosed
US-4328360-A VULCANIZING AGENT FOR THERMOPLASTIC RESINS PENNWALT CORPORATION (US) 1982-05-04 US disclosed