SCHEMBL17199879

SCHEMBL17199879

NC(=O)N(C(O)COc1ccccc1)N1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
DPP4 P27487 2/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
ABCB1 P08183 2/20 0.35
USP2 O75604 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL14938331 0.74 ALOX5 (0.48) MEN1KMT2ASLC6A4
SCHEMBL27902890 0.71
SCHEMBL27538699 0.69 ALOX5 (0.31)
SCHEMBL14938330 0.69 SIGMAR1 (0.39) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL24322808 0.65 L3MBTL1 (0.77) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL5878421 0.65 L3MBTL1 (0.77) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL11539445 0.65 SLC6A2 (0.46) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL14938323 0.64 DPP4 (0.34) TSHRDPP4LMNA
SCHEMBL28352477 0.63
SCHEMBL598380 0.63 POLB (0.38) TSHRKMT2A

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
EP-2937075-A1 SKIN BARRIER PROTECTIVE INGREDIENT AND COSMETIC AND/OR DERMATOLOGICAL FORMULATION CONTAINING THE SAME Botica Comercial Farmacêutica Ltda. (BR) 2015-10-28 EP disclosed