SCHEMBL28463752

SCHEMBL28463752

CC(=O)OCCCCCC(C)C.CC(=O)OCCCCCC(C)C.CC(=O)OCCCCCC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
PTPN1 P18031 1/20 0.45
LMNA P02545 3/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 3/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
RARB P10826 1/20 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

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
SCHEMBL27984991 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL333496 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL27261222 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL421572 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL30638779 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL8772844 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL418194 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL757134 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL2120826 1.00 ALDH1A1 (0.52) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G
SCHEMBL28151807 0.98 ALDH1A1 (0.50) ALDH1A1PTPN1LMNAAPOBEC3AAPOBEC3G

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-111621061-A Environment-friendly composite heat stabilizer composition and application thereof 邵卫东 2020-09-04 CN disclosed