SCHEMBL28030481

SCHEMBL28030481

CCCCC(C)(CC)OC(=O)CCC(=O)OC(C)(CC)CCCC.[NaH].[NaH]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PAM P19021 2/20 0.35
CES1 P23141 6/20 0.34
DGKA P23743 1/20 0.34
CES2 O00748 5/20 0.33
MAPT P10636 1/20 0.33
MLYCD O95822 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTR2C P28335 1/20 0.32
FAAH O00519 1/20 0.31
AKR1B1 P15121 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
SCHEMBL16010233 0.98 LMNA (0.37) LMNAPAMCES1DGKACES2
SCHEMBL11586350 0.92 LMNA (0.44) LMNAPAMCES1DGKACES2
SCHEMBL28139328 0.91 AKR1B1 (0.41) PAMMAPTALDH1A1AKR1B1
SCHEMBL14695273 0.91 LMNA (0.47) LMNAPAMCES1DGKACES2
SCHEMBL10464186 0.90 PAM (0.38) LMNAPAMCES1DGKACES2
SCHEMBL9101344 0.89 LMNA (0.50) LMNAPAMCES1DGKACES2
SCHEMBL270549 0.89 LMNA (0.50) LMNAPAMCES1DGKACES2
SCHEMBL20918218 0.89 LMNA (0.50) LMNAPAMCES1DGKACES2
SCHEMBL22092398 0.89 LMNA (0.50) LMNAPAMCES1DGKACES2
SCHEMBL20918469 0.89 LMNA (0.50) LMNAPAMCES1DGKACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105165862-A Herbicide mixture and weeding micro-emulsion specially used for Rhizoma Atractylodis Macrocephalae ANHUI CHANGTAI CHEMICAL CO LTD 2015-12-23 CN disclosed
CN-105076176-A Weeding microemulsion for planting blueberries ANHUI JINSHUIYUAN ECOLOGICAL AGRICULTURE CO LTD 2015-11-25 CN disclosed
CN-105052992-A Herbicide compound specially used for removing alternanthera philoxeroides and weeding microemulsion ANHUI JINSHUIYUAN ECOLOGY AGRICULTURE CO LTD 2015-11-18 CN disclosed
CN-105052980-A Fentrazamide-containing weeding microemulsion ANHUI CHANGTAI CHEMICAL CO LTD 2015-11-18 CN disclosed
CN-105028450-A Herbicide compound specially used for cogon weeds and weeding microemulsion ANHUI JINSHUIYUAN ECOLOGICAL AGRICULTURAL CO LTD 2015-11-11 CN disclosed