SCHEMBL29637684

SCHEMBL29637684

O=C1CCC(C2(O)CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD17B3 P37058 1/20 0.33
ESR2 Q92731 2/20 0.32
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.31
MET P08581 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
Cyclohexanone SCHEMBL11878639 0.88 LMNA (0.46) LMNATSHRTRIM24TRIM33ALDH1A1
SCHEMBL21535361 0.83 LMNA (0.44) LMNATSHRTRIM24TRIM33ALDH1A1
SCHEMBL21535362 0.83 LMNA (0.44) LMNATSHRTRIM24TRIM33ALDH1A1
SCHEMBL613339 0.83 LMNA (0.44) LMNATSHRTRIM24TRIM33ALDH1A1
SCHEMBL25316037 0.82 LMNA (0.49) LMNATSHROPRM1OPRD1OPRK1
SCHEMBL11508047 0.82 LMNA (0.49) LMNATSHROPRM1OPRD1OPRK1
SCHEMBL1119303 0.79 SHBG (0.36) LMNATSHRTRIM24TRIM33ALDH1A1
SCHEMBL28365856 0.78 LMNA (0.36) LMNATSHROPRM1OPRD1OPRK1
SCHEMBL8602855 0.78 MET (0.36) LMNATSHRALDH1A1OPRM1OPRD1
SCHEMBL16084374 0.76 OPRM1 (0.36) LMNATSHROPRM1OPRD1OPRK1

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-114479041-B Polyester efficiently catalyzed by two-dimensional material, polyester product, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-09-20 CN disclosed
CN-111788246-B Composition, bonding method and bonded assembly 3M创新有限公司 2022-06-10 CN disclosed
CN-114479041-A Polyester efficiently catalyzed by two-dimensional material, polyester product, preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2022-05-13 CN disclosed