SCHEMBL15964149

SCHEMBL15964149

CCCC1OC1CCCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PAOX Q6QHF9 2/20 0.35
ACHE P22303 1/20 0.35
HMGCR P04035 1/20 0.35
KAT2A Q92830 2/20 0.33
CES1 P23141 3/20 0.32
ALOX5 P09917 2/20 0.32
MAPT P10636 1/20 0.32
CES2 O00748 2/20 0.31
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28332885 0.88 ALDH1A1 (0.36) ALDH1A1PAOXACHEHMGCRLMNA
SCHEMBL19628786 0.84 CES2 (0.45) ALDH1A1CES1CES2TDP1
SCHEMBL863512 0.84 CES2 (0.45) ALDH1A1CES1CES2TDP1
SCHEMBL17653600 0.83 CES1 (0.37) ALDH1A1HMGCRCES1MAPTCES2
SCHEMBL835135 0.80 CES2 (0.41) ALDH1A1CES1CES2TDP1
SCHEMBL15964162 0.79 TSHR (0.50) ALDH1A1ALOX5LMNATDP1
SCHEMBL866014 0.77 KAT2A (0.36) HMGCRKAT2AALOX5MAPT
SCHEMBL19628778 0.76 PAOX (0.42) ALDH1A1PAOXACHE
SCHEMBL19628783 0.76 PAOX (0.42) ALDH1A1PAOXACHE
SCHEMBL13409098 0.76 PAOX (0.38) ALDH1A1PAOXACHE

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-9695269-B2 Preparation of polyurethanes and polyesters from glycolipid type compounds UNIVERSITÉ DE BORDEAUX (FR) 2017-07-04 US disclosed
US-20140235814-A1 PREPARATION OF POLYURETHANES AND POLYESTERS FROM GLYCOLIPID TYPE COMPOUNDS INSTITUT DES CORPS GRAS ETUDES ET RECHERCHES TECHNIQUES - ITERG (FR) 2014-08-21 US disclosed