SCHEMBL9306484

SCHEMBL9306484

O=C(O)C(Cl)C(CO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
OR51E2 Q9H255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.32
SLC1A1 P43005 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL2215556 0.80
SCHEMBL3901335 0.78 TDP1 (0.50) LMNAOR51E2TDP1ALDH1A1PDE4A
SCHEMBL9304785 0.76 TDP1 (0.40) LMNATDP1ALDH1A1SLC1A1SLC1A3
SCHEMBL7515505 0.74
SCHEMBL7521019 0.74
SCHEMBL7518232 0.74
SCHEMBL7517704 0.74
SCHEMBL7517493 0.74
SCHEMBL7523856 0.72
SCHEMBL7513300 0.72

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed