SCHEMBL28516607

SCHEMBL28516607

C=C(C)c1ccc(C(=O)C(C)(C)O)cc1.CC(C)(O)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
CES1 P23141 5/20 0.44
CES2 O00748 3/20 0.42
ELANE P08246 2/20 0.40
FASN P49327 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.38

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
Benzene SCHEMBL28538084 0.96 CA2 (0.40) SRCCES1CES2ELANEFASN
SCHEMBL263176 0.92 CA2 (0.42) SRCCES1CES2FASNMAPT
Acetone SCHEMBL26676880 0.90 CA2 (0.41) SRCCES1CES2FASNMAPT
Formaldehyde SCHEMBL28986972 0.86 CES1 (0.52) SRCCES1CES2MAPTSMN1; SMN2
SCHEMBL21310 0.86 CES1 (0.56) SRCCES1CES2MAPTSMN1; SMN2
SCHEMBL9105008 0.86 CES1 (0.56) SRCCES1CES2MAPTSMN1; SMN2
Hydrogen Sulfide SCHEMBL11500168 0.84 CES1 (0.54) SRCCES1CES2MAPTSMN1; SMN2
SCHEMBL11500171 0.84 CES1 (0.54) SRCCES1CES2MAPTSMN1; SMN2
Bicarbonate SCHEMBL4881468 0.84 CES1 (0.54) SRCCES1CES2MAPTSMN1; SMN2
SCHEMBL10945073 0.82 CES1 (0.62) SRCCES1CES2MAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605522-A Coating composition, method for producing a hydrophilic coating on a substrate and medical device comprising such a coating 帝斯曼知识产权资产管理有限公司(NL) 2023-01-13 CN disclosed
CN-114173838-A Coating material 微仙美国有限公司 2022-03-11 CN disclosed
CN-110845666-B Functionalized hydrophilic polymer, hydrophilic coating solution and medical catheter comprising the same 北京美中双和医疗器械股份有限公司 2022-03-04 CN disclosed
CN-113631203-A Coating layer 微仙美国有限公司 2021-11-09 CN disclosed
CN-112225834-A Alkene-functionalized heparin compounds and uses thereof 北京米道斯医疗器械股份有限公司 2021-01-15 CN disclosed