SCHEMBL28040905

SCHEMBL28040905

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
ENPP2 Q13822 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.34
GAA P10253 1/20 0.34
SLC6A5 Q9Y345 2/20 0.34
FAAH O00519 1/20 0.33
RECQL P46063 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL28040906 0.91 ABCC4 (0.41) ALDH1A1LMNALPAR1LPAR2ENPP2
SCHEMBL7190020 0.84 ALDH1A1 (0.37) ALDH1A1LMNALPAR1LPAR2ENPP2
SCHEMBL2727705 0.84 RECQL (0.46) ALDH1A1LPAR1LPAR2ENPP2EPHX2
SCHEMBL7554092 0.83 RECQL (0.40) ALDH1A1LMNALPAR2ABCC4MAPT
SCHEMBL29001684 0.83 RECQL (0.45) ALDH1A1LPAR1LPAR2ENPP2EPHX2
SCHEMBL28701809 0.83 RECQL (0.45) ALDH1A1LPAR1LPAR2ENPP2EPHX2
SCHEMBL2727567 0.83 RECQL (0.45) ALDH1A1LPAR1LPAR2ENPP2EPHX2
SCHEMBL7553073 0.78 RECQL (0.47) ALDH1A1LMNAMAPTTSHRFAAH
SCHEMBL14972390 0.75 ALDH1A1 (0.54) ALDH1A1LMNALPAR1LPAR2ENPP2
SCHEMBL9437697 0.74 EPHX2 (0.54) ALDH1A1LPAR1LPAR2ENPP2TRPV1

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