SCHEMBL7516647

SCHEMBL7516647

CC(C)OCCCCCCCCCCCCCCCC(O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DEGS1 O15121 1/20 0.30
DNM1 Q05193 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
SCHEMBL172842 0.90 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL25489245 0.83 ALDH1A1 (0.37) ALDH1A1TRPV1TRPA1KDM4ETSHR
SCHEMBL4611588 0.82 ALDH1A1 (0.34) ALDH1A1TRPV1TRPA1KDM4E
SCHEMBL11030766 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRL3MBTL1DEGS1
SCHEMBL13864131 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRL3MBTL1DEGS1
SCHEMBL5159311 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRL3MBTL1DEGS1
SCHEMBL5163869 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRL3MBTL1DEGS1
SCHEMBL10498184 0.80 LMNA (0.43) ALDH1A1KDM4EDNM1
SCHEMBL14241089 0.80 LMNA (0.43) ALDH1A1KDM4EDNM1
SCHEMBL12353671 0.80 LMNA (0.43) ALDH1A1KDM4EDNM1

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
EP-0887072-B1 Use of sulfites and metabisulfites for the manufacturing of cosmetic or pharmaceutical, in particular dermatological compositions having an inhibitory effect on melanogenesis or a skin whitening activity COLETICA (FR) 2002-01-09 EP disclosed
EP-0887072-A1 Use of sulfites and meta bisulfites, for the manufacturing of cosmetic or pharmaceutical compositions, principally for dermatologig, having an inhibitory effect on melanogenesis or skin whitening COLETICA (FR) 1998-12-30 EP disclosed