SCHEMBL28080800

SCHEMBL28080800

CCCOCC(C)O.CCOCC(C)OC(C)=O.COCC(C)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 2/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA1D P25100 1/20 0.30
PTAFR P25105 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1B P35368 1/20 0.30
DRD3 P35462 1/20 0.30
TMEM97 Q5BJF2 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
SCHEMBL154788 0.94 HSD17B10 (0.60) HSD17B10TDP1TSHRCHRM2CHRM4
SCHEMBL155545 0.92 HSD17B10 (0.42) HSD17B10TDP1TSHRCHRM2CHRM4
SCHEMBL7160598 0.87 TSHR (0.42) HSD17B10TDP1TSHRCHRM2CHRM4
SCHEMBL4591928 0.87 TSHR (0.42) HSD17B10TDP1TSHRCHRM2CHRM4
SCHEMBL105187 0.84 TDP1 (0.52) HSD17B10TDP1TSHRCHRM2CHRM4
Methyl Alcohol SCHEMBL15345249 0.82 TDP1 (0.50) HSD17B10TDP1TSHRCHRM2CHRM4
Ether SCHEMBL5485511 0.82 TSHR (0.44) HSD17B10TDP1TSHRCHRM2CHRM4
Propylene Glycol SCHEMBL154787 0.81 TDP1 (0.51) HSD17B10TDP1TSHRCHRM2CHRM4
SCHEMBL15333361 0.81 TDP1 (0.43) HSD17B10TDP1TSHRCHRM2CHRM4
Di(Hydroxyethyl)Ether SCHEMBL28686575 0.81 TDP1 (0.40) HSD17B10TDP1TSHRCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793361-A Resin composition, thermally-conductive cured product, silicon compound, silane coupling agent composition and carrier 株式会社ADEKA 2016-07-20 CN disclosed
CN-102621809-B Photosensitive composition 住友化学株式会社 2016-07-06 CN disclosed
CN-105733295-A Compound for dye 住友化学株式会社 2016-07-06 CN disclosed