SCHEMBL8501162

SCHEMBL8501162

COc1ccccc1C1OC(CC(=O)C(N)C(=O)O)C(=O)N(CC(C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 16/20 0.61

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
SCHEMBL8504873 0.90 FDFT1 (0.52) FDFT1
SCHEMBL6953607 0.89 FDFT1 (0.75) FDFT1
SCHEMBL6953604 0.89 FDFT1 (0.75) FDFT1
SCHEMBL6953603 0.89 FDFT1 (0.75) FDFT1
Acetic Acid SCHEMBL6951681 0.89 FDFT1 (0.64) FDFT1
SCHEMBL9278680 0.88 FDFT1 (0.78) FDFT1
SCHEMBL8505263 0.85 FDFT1 (0.60) FDFT1
SCHEMBL8504662 0.85 FDFT1 (0.60) FDFT1
SCHEMBL8565878 0.85 FDFT1 (0.61) FDFT1
SCHEMBL8565883 0.85 FDFT1 (0.61) FDFT1

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-5885979-A SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5726306-A INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed