SCHEMBL27646347

SCHEMBL27646347

CCCCOCC(C)OCC(C)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
SPHK1 Q9NYA1 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.31
LPAR1 Q92633 4/20 0.31
LPAR3 Q9UBY5 4/20 0.31
LPAR2 Q9HBW0 1/20 0.31
CASR P41180 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
SCHEMBL27646139 0.93 TDP1 (0.38) TDP1SPHK1USP2HTTTSHR
SCHEMBL29083541 0.89 TDP1 (0.58) TDP1HSD17B10
SCHEMBL30549093 0.85 USP2 (0.47) SPHK1USP2HTTLPAR1LPAR3
SCHEMBL29083561 0.85 USP2 (0.41) TDP1SPHK1USP2HTTLPAR1
SCHEMBL429585 0.83 TDP1 (0.53) TDP1SPHK1USP2HTTTSHR
SCHEMBL431994 0.83 TDP1 (0.53) TDP1SPHK1USP2HTTTSHR
SCHEMBL28728615 0.83 TDP1 (0.53) TDP1SPHK1USP2HTTTSHR
SCHEMBL230477 0.83 TDP1 (0.53) TDP1SPHK1USP2HTTTSHR
SCHEMBL28729672 0.83 TDP1 (0.53) TDP1SPHK1USP2HTTTSHR
SCHEMBL4891519 0.81 TDP1 (0.57) TDP1SPHK1USP2HTTTSHR

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-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN disclosed
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed