SCHEMBL27643131

SCHEMBL27643131

C=CC(=O)NCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.54
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HPGD P15428 1/20 0.41
BCHE P06276 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL16256999 0.90 TDP1 (0.48) EPHX1TGM2ALDH1A1TSHRMAPK1
SCHEMBL10664789 0.90 TDP1 (0.48) EPHX1TGM2ALDH1A1TSHRMAPK1
SCHEMBL14260924 0.89 ZDHHC20 (0.47) EPHX1TGM2ALDH1A1TSHRMAPK1
SCHEMBL14384421 0.84 ZDHHC20 (0.49) EPHX1TGM2ALDH1A1TSHRMAPK1
SCHEMBL16122656 0.82 TSHR (0.45) EPHX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL10811291 0.81 ZDHHC20 (0.44) EPHX1TGM2ZDHHC20ZDHHC2HRH4
SCHEMBL220086 0.81 EPHX1 (0.55) EPHX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL10808247 0.79 ZDHHC20 (0.45) EPHX1TGM2ALDH1A1TSHRMAPK1
SCHEMBL14514537 0.79 EPHX1 (0.52) EPHX1ALDH1A1TSHRMAPK1TDP1
SCHEMBL16099475 0.78 ACHE (0.41) TGM2ALDH1A1TSHRMAPK1TDP1

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-1713787-A Organic electroluminescent device, method for producing the same, and electronic apparatus SEIKO EPSON CORP (JP) 2005-12-28 CN disclosed