SCHEMBL31095486

SCHEMBL31095486

O=C(O)C1CCCCCC1(C(=O)O)C1CCCCCC1.[Na].[Na]

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL17386420 0.98 HSD11B1 (0.34) HSD11B1LMNATSHRCES2CES1
SCHEMBL225900 0.98 HSD11B1 (0.34) HSD11B1LMNATSHRCES2CES1
SCHEMBL3831089 0.98 HSD11B1 (0.34) HSD11B1LMNATSHRCES2CES1
SCHEMBL7018600 0.98 HSD11B1 (0.34) HSD11B1LMNATSHRCES2CES1
SCHEMBL1458781 0.98 HSD11B1 (0.34) HSD11B1LMNATSHRCES2CES1
Benzene SCHEMBL27333575 0.95 HSD11B1 (0.33) HSD11B1LMNATSHRCES2CES1
SCHEMBL571727 0.89 LMNA (0.36) HSD11B1LMNATSHRCES2CES1
SCHEMBL11593269 0.89 LMNA (0.36) HSD11B1LMNATSHRCES2CES1
SCHEMBL5029377 0.89 GRM2 (0.33) HSD11B1LMNATSHRGRM2GRM3
SCHEMBL9657672 0.85 GRM2 (0.33) LMNATSHRCES2CES1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118650953-B Polyethylene film with heat resistance and high water vapor barrier property and preparation method thereof 佛山市利达包装新材料股份有限公司 2024-12-06 CN claimed
CN-118650953-A Polyethylene film with heat resistance and high water vapor barrier property and preparation method thereof 佛山市利达包装新材料股份有限公司 2024-09-17 CN claimed
CN-118650953-B Polyethylene film with heat resistance and high water vapor barrier property and preparation method thereof 佛山市利达包装新材料股份有限公司 2024-12-06 CN disclosed
CN-118650953-B Polyethylene film with heat resistance and high water vapor barrier property and preparation method thereof 佛山市利达包装新材料股份有限公司 2024-12-06 CN disclosed
CN-118650953-A Polyethylene film with heat resistance and high water vapor barrier property and preparation method thereof 佛山市利达包装新材料股份有限公司 2024-09-17 CN disclosed
CN-118650953-A Polyethylene film with heat resistance and high water vapor barrier property and preparation method thereof 佛山市利达包装新材料股份有限公司 2024-09-17 CN disclosed