SCHEMBL8680776

SCHEMBL8680776

CCCCCCCCCCCCCCCCOC(=O)OC1CCC[N]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.41
EPHX1 P07099 1/20 0.39
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
CES2 O00748 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G2C Q5R387 1/20 0.35

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
SCHEMBL8686051 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8683111 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8680921 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8682074 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8681070 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8686113 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8683097 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8680974 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8680816 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL8681003 1.00 NAAA (0.41) NAAAEPHX1TSHRGAAMAPK1

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
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed