SCHEMBL7794025

SCHEMBL7794025

C=C(C)C(=O)OC1CC(C)CCC1C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
EPHX1 P07099 2/20 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
SCHEMBL8775683 0.80 ALDH1A1 (0.35) ALDH1A1HPGDEPHX1
SCHEMBL12791893 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18253578 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7794027 0.79 TLR4 (0.32)
SCHEMBL23576343 0.78 ALDH1A1 (0.33) ALDH1A1HPGDEPHX1
SCHEMBL23576342 0.78 ALDH1A1 (0.33) ALDH1A1HPGDEPHX1
SCHEMBL7793170 0.76
SCHEMBL7793172 0.76
SCHEMBL465418 0.76 ALDH1A1 (0.34) ALDH1A1EPHX1
SCHEMBL12556039 0.75 CYP19A1 (0.35) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0875496-B1 Acrylic or methacrylic acid derivatives and polymers obtained therefrom WAKO PURE CHEM IND LTD (JP) 2001-11-07 EP disclosed
US-5856521-A Acrylic or methacrylic acid derivatives and polymers obtained therefrom WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-05 US disclosed
EP-0875789-A1 Resist composition and its use for forming pattern WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1998-11-04 EP disclosed
EP-0875496-A1 Acrylic or methacrylic acid derivatives and polymers obtained therefrom WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1998-11-04 EP disclosed