SCHEMBL8326472

SCHEMBL8326472

CC1(C)COC(=O)CCCCCCCOC(=O)C1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 3/20 0.47
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 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
SCHEMBL152955 0.77
SCHEMBL1164243 0.77
SCHEMBL1164270 0.77
SCHEMBL5889420 0.76 CYP3A4 (0.33)
SCHEMBL9845185 0.76 CYP3A4 (0.33)
Methyl Alcohol SCHEMBL28117248 0.71 CA1 (0.80) FKBP4CA1CA9ALDH1A1LMNA
Cyclohexane SCHEMBL28659819 0.71 CA1 (0.80) FKBP4CA1CA9ALDH1A1LMNA
SCHEMBL11824753 0.70 CA1 (0.57) FKBP4CA1CA9ALDH1A1LMNA
SCHEMBL530556 0.70 CA1 (0.57) FKBP4CA1CA9ALDH1A1LMNA
SCHEMBL31743255 0.69 CA1 (0.48) FKBP4CA1CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972237-A USED AS COLD BLEACH ACTIVATORS OR OPTICAL BRIGHTENERS IN DETERGENTS, CLEANERS AND BLEACHES AND IN DISINFECTANTS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed
EP-0826025-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-04 EP disclosed
WO-1996036686-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-11-21 WO disclosed