SCHEMBL28550237

SCHEMBL28550237

CCCCCCCOC(=O)C12C=CC(CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
CES2 O00748 1/20 0.37
EPHX1 P07099 1/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.34
PRKCA P17252 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 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
SCHEMBL10592103 1.00 NAAA (0.38) NAAACES2EPHX1TSHRALDH1A1
SCHEMBL10591972 1.00 NAAA (0.38) NAAACES2EPHX1TSHRALDH1A1
SCHEMBL10595092 1.00 NAAA (0.38) NAAACES2EPHX1TSHRALDH1A1
SCHEMBL2350192 0.94 ALDH1A1 (0.36) TSHRALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6445704 0.90 ALDH1A1 (0.33) TSHRALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4336336 0.90 MEN1 (0.33) TSHRALDH1A1LMNASMN1; SMN2HCAR2
SCHEMBL4247811 0.83 OPRM1 (0.33) TSHRSMN1; SMN2CYP3A4
SCHEMBL5750057 0.71 ALDH1A1 (0.36) CES2ALDH1A1HTTEPHX2MAPT
SCHEMBL7157746 0.70
SCHEMBL4192255 0.70 NAAA (0.40) NAAACES2EPHX1TSHRALDH1A1

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-112592635-A Preparation and application of olefin copolymer 济南大学 2021-04-02 CN disclosed