SCHEMBL28539239

SCHEMBL28539239

CCOC(=O)C1(OC(=O)c2ccccc2)C=CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
OPRM1 P35372 5/20 0.39
ALDH1A1 P00352 3/20 0.39
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL28541952 0.90 LMNA (0.51) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL28548056 0.88 LMNA (0.43) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28539186 0.81 KMT2A (0.47) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL27386882 0.76 POLB (0.32) MEN1KMT2ASMN1; SMN2OPRM1ALDH1A1
SCHEMBL28232807 0.76 TSHR (0.42) KMT2ALMNASMN1; SMN2NPC1GAA
SCHEMBL28279366 0.71 SMN1; SMN2 (0.49) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL5702571 0.71 LMNA (0.40) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL30335941 0.70 LMNA (0.44) KMT2ALMNASMN1; SMN2NPC1GAA
SCHEMBL28277976 0.70 SMN1; SMN2 (0.48) MEN1KMT2ALMNASMN1; SMN2NPC1
Ethyl Benzoate SCHEMBL27838043 0.69 LMNA (0.61) MEN1KMT2ALMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed