SCHEMBL28848015

SCHEMBL28848015

CCCCCCCCCCCCCCCCOC(=O)[C@H](Cc1ccccc1)NCCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR2 P34972 1/20 0.45
TLR2 O60603 1/20 0.45
BIRC2 Q13490 1/20 0.45

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
SCHEMBL3957116 0.91 MMP8 (0.50) BCHEPOLBTSHRSMN1; SMN2TP53
SCHEMBL13915546 0.91 MMP8 (0.50) BCHEPOLBTSHRSMN1; SMN2TP53
SCHEMBL25590532 0.89 POLB (0.60) BCHEPOLBTSHRLMNAALDH1A1
SCHEMBL28953193 0.89 POLB (0.60) BCHEPOLBTSHRLMNAALDH1A1
SCHEMBL28885763 0.89 POLB (0.60) BCHEPOLBTSHRLMNAALDH1A1
SCHEMBL9490405 0.88 POLB (0.61) BCHEPOLBTSHRLMNAALDH1A1
SCHEMBL9491800 0.88 POLB (0.61) BCHEPOLBTSHRLMNAALDH1A1
SCHEMBL9487005 0.88 POLB (0.61) BCHEPOLBTSHRLMNAALDH1A1
SCHEMBL25529014 0.86 TSHR (0.50) POLBTSHRLMNAALDH1A1NPC1
SCHEMBL12705747 0.86 TSHR (0.50) POLBTSHRLMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074762-A The ester of amino acid N acylated derivatives and polyalcohol as the age resister for application on human skin purposes 化工产品开发公司SEPPIC 2017-08-18 CN disclosed