SCHEMBL28040906

SCHEMBL28040906

C=CCCCCCCCCC(=O)NCCOC(=O)C(CC(=O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 5/20 0.40
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
FAAH O00519 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL28040905 0.91 ALDH1A1 (0.40) ABCC4MAPTALDH1A1EPHX2LMNA
SCHEMBL2727698 0.84 EPHX2 (0.48) EPHX2FAAHCNR1CNR2LPAR1
SCHEMBL29389656 0.83 EPHX2 (0.47) EPHX2FAAHCNR1CNR2LPAR1
SCHEMBL3697473 0.83 EPHX2 (0.47) EPHX2FAAHCNR1CNR2LPAR1
SCHEMBL837285 0.78 GLP1R (0.48) ALDH1A1EPHX2FAAHCNR1CNR2
SCHEMBL837586 0.78 GLP1R (0.48) ALDH1A1EPHX2FAAHCNR1CNR2
SCHEMBL11883950 0.77 ZDHHC20 (0.38) ALDH1A1TSHR
Undecylenic Acid SCHEMBL4653776 0.75 MAPT (0.61) ABCC4MAPTALDH1A1LMNAFAAH
SCHEMBL7190020 0.75 ALDH1A1 (0.37) ABCC4MAPTALDH1A1EPHX2LMNA
SCHEMBL16382286 0.74 MAPT (0.69) ABCC4MAPTALDH1A1EPHX2FAAH

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-105078778-A Anti-dandruff shampoo capable of repairing scalp microecological system and application of anti-dandruff shampoo LAF INTERNAT GROUP 2015-11-25 CN disclosed