SCHEMBL28407485

SCHEMBL28407485

CC(O)CC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.53
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
HMGCR P04035 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
HPN P05981 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20390061 0.82 CA2 (0.55) VCAM1CA1CA2LMNARECQL
SCHEMBL28219122 0.80 VCAM1 (0.53) VCAM1CA1CA2LMNARECQL
SCHEMBL100583 0.80 CA2 (0.53) VCAM1CA1CA2LMNARECQL
SCHEMBL8144890 0.79 CA2 (0.52) VCAM1CA1CA2LMNARECQL
SCHEMBL38445 0.79 VCAM1 (0.60) VCAM1CA1CA2LMNARECQL
Methane SCHEMBL4563808 0.79 CA2 (0.52) VCAM1CA1CA2LMNARECQL
SCHEMBL30999666 0.79 CA2 (0.52) VCAM1CA1CA2LMNARECQL
SCHEMBL28207236 0.79 CA2 (0.52) VCAM1CA1CA2LMNARECQL
SCHEMBL28126151 0.78 VCAM1 (0.51) VCAM1CA1CA2GAA
Ethylene SCHEMBL30811109 0.78 CA2 (0.50) VCAM1CA1CA2LMNARECQL

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-115011396-A Liquid antioxidant composition for lubricating oil and lubricating oil 天津利安隆新材料股份有限公司 2022-09-06 CN disclosed
CN-111251494-B Preparation method of low-melting-point weather-resistant auxiliary agent master batch 天津利安隆新材料股份有限公司 2022-03-29 CN disclosed
CN-111251494-A Preparation method of low-melting-point weather-resistant auxiliary agent master batch 天津利安隆新材料股份有限公司 2020-06-09 CN disclosed