SCHEMBL9768490

SCHEMBL9768490

CC(=O)CC(C)(C)C(=O)[O-].CC(=O)CC(C)(C)C(=O)[O-].CC(=O)CC(C)(C)C(=O)[O-].[Au+3]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.35
CA4 P22748 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CTH P32929 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
TRPA1 O75762 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
SCHEMBL8844249 0.76 CA4 (0.52) CA1CA4HMGCRCHRM1TBXA2R
SCHEMBL665276 0.76 CA4 (0.46) CA1CA4HMGCRCHRM1TBXA2R
SCHEMBL6739454 0.76 CA4 (0.46) CA1CA4HMGCRCHRM1TBXA2R
Silver SCHEMBL6739447 0.76 CA4 (0.46) CA1CA4HMGCRCHRM1TBXA2R
SCHEMBL9015652 0.75 ALDH1A1 (0.37) ALDH1A1TDP1SMN1; SMN2HMGCRCHRM1
Water SCHEMBL14109454 0.74 CA4 (0.44) CA4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL243901 0.72 TSHR (0.43) ALDH1A1TDP1SMN1; SMN2HMGCRCHRM1
Silver SCHEMBL17782938 0.72 CA4 (0.38) CA4
Acetic Acid SCHEMBL1695867 0.70 TSHR (0.42) ALDH1A1TDP1HMGCRCHRM1TBXA2R
SCHEMBL9768492 0.70 TSHR (0.42) ALDH1A1TDP1HMGCRCHRM1TBXA2R

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-4990363-A Decomposing organometallic compound using glow discharges SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0321734-A1 Process for the production of strongly adhering metallic structures on fluoropolymers and thermoplastic materials SCHERING AKTIENGESELLSCHAFT (DE) 1989-06-28 EP disclosed