SCHEMBL28501703

SCHEMBL28501703

CC(=O)OCCOCCOCCC(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.43
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40

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
SCHEMBL11373897 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTDP1ALOX15CHRM5
SCHEMBL27706978 0.93 ALOX15 (0.48) ALDH1A1TSHRTDP1ALOX15CHRM5
SCHEMBL14870881 0.88 ALDH1A1 (0.52) ALDH1A1TSHRTDP1ALOX15CHRM5
SCHEMBL27086 0.86
SCHEMBL901254 0.86 ALOX15 (0.53) ALDH1A1TSHRTDP1ALOX15CHRM5
Acetic Acid Butyl Ester SCHEMBL23391662 0.84 ALDH1A1 (0.67) ALDH1A1TSHRTDP1ALOX15PTPN1
SCHEMBL28563022 0.84 ALOX15 (0.52) ALDH1A1TSHRTDP1ALOX15CHRM5
Methane SCHEMBL766234 0.84 ALOX15 (0.52) ALDH1A1TSHRTDP1ALOX15CHRM5
Acetone SCHEMBL7637226 0.84 ALOX15 (0.52) ALDH1A1TSHRTDP1ALOX15CHRM5
Methyl Alcohol SCHEMBL6663691 0.84 ALOX15 (0.52) ALDH1A1TSHRTDP1ALOX15CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112147842-A Black photosensitive resin composition, black pattern and liquid crystal display device 奇美实业股份有限公司 2020-12-29 CN disclosed