SCHEMBL28033101

SCHEMBL28033101

CC(C)COCC(C)C.CCCOCC(C)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.82
TDP1 Q9NUW8 1/20 0.61
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
MAPK1 P28482 1/20 0.34
LPAR5 Q9H1C0 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL21356623 0.91 HSD17B10 (1.00) HSD17B10TDP1USP2HTTKDM4E
SCHEMBL17164541 0.91
SCHEMBL34792 0.91
SCHEMBL9637969 0.91
Propane SCHEMBL28092303 0.88 HSD17B10 (0.95) HSD17B10TDP1USP2HTTKDM4E
SCHEMBL5961592 0.88 HSD17B10 (0.85) HSD17B10TDP1USP2HTTL3MBTL1
Isopropyl Alcohol SCHEMBL1060955 0.88 HSD17B10 (0.95) HSD17B10TDP1USP2HTTKDM4E
SCHEMBL30725962 0.88
Propylene Glycol SCHEMBL27876038 0.86 HSD17B10 (0.67) HSD17B10TDP1USP2HTTL3MBTL1
SCHEMBL11459409 0.86 HSD17B10 (0.90) HSD17B10TDP1USP2HTTKDM4E

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
CN-104955999-B Use the textile dry-cleaning facility of mixed solvent and recycling discarded mixed solvent recvery facility 阿尔卡内工业公司 2016-12-28 CN disclosed
CN-104955999-A Unit for dry cleaning textile articles using a composite solvent and for recycling the used composite solvent for re-use ARCANE IND 2015-09-30 CN disclosed