SCHEMBL22845686

SCHEMBL22845686

CC(=O)OCC(O)COC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 4/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
RGS12 O14924 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
APOBEC3A P31941 1/20 0.36

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
SCHEMBL4073158 0.84 TSHR (0.46) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL13907638 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL23873858 0.82 LPAR5 (0.38) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL4074514 0.79 TSHR (0.43) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL13191295 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL16004180 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL13190990 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL9197811 0.77 EPHX1 (0.33) KDM4EALDH1A1MAPTHTTEPHX1
SCHEMBL304203 0.77 TDP1 (0.54) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL538207 0.76 KDM4E (0.44) KDM4EALDH1A1MAPTHTTLMNA

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-11642217-B2 Intraocular lens compositions ALCON INC. (CH) 2023-05-09 US disclosed
US-20200405474-A1 INTRAOCULAR LENS COMPOSITIONS ALCON RESEARCH, LTD. 2020-12-31 US disclosed