SCHEMBL8518654

SCHEMBL8518654

C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2.C=C(O)C(=O)OC(C)OCCCl

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 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
SCHEMBL8519751 0.88 EPHX2 (0.35) EPHX2
SCHEMBL8769751 0.87 CYP17A1 (0.31)
SCHEMBL8518909 0.83 CYP17A1 (0.33)
SCHEMBL1356689 0.78 TSHR (0.41)
SCHEMBL8398397 0.78
SCHEMBL1324043 0.78 ALDH1A1 (0.37) EPHX2
SCHEMBL45476 0.75 NAAA (0.40) EPHX2
Methacrylic Acid SCHEMBL13504160 0.74 NAAA (0.37) EPHX2
SCHEMBL28138951 0.74 NAAA (0.39) EPHX2
Methacrylic Acid SCHEMBL21924974 0.73 CYP19A1 (0.36) EPHX2

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-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed