SCHEMBL7545353

SCHEMBL7545353

CC1(C)CCCC(C)(CC(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 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
SCHEMBL8787565 0.85
SCHEMBL7551488 0.82 CYP2C19 (0.38)
SCHEMBL3654075 0.81 ALDH1A1 (0.35) PKM
SCHEMBL7002732 0.80
SCHEMBL7548873 0.80
SCHEMBL5474500 0.79 ALDH1A1 (0.39) PKM
SCHEMBL7620230 0.78 TDP1 (0.33)
Hydrochloric Acid SCHEMBL20502496 0.77 ALDH1A1 (0.38)
SCHEMBL10054542 0.76 TSHR (0.38)
SCHEMBL29703000 0.73 PKM (0.31) PKM

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-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 US disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed