SCHEMBL8569244

SCHEMBL8569244

CCCCC(CC)COC(=O)CCCCC(C)C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.84
CYP3A4 P08684 2/20 0.84
ATM Q13315 1/20 0.84
TDP1 Q9NUW8 1/20 0.84
RECQL P46063 1/20 0.54
MAPT P10636 1/20 0.53
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
CA2 P00918 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 2/20 0.44
PRKCA P17252 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44

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
SCHEMBL28060401 0.98 TSHR (0.82) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL7721991 0.98 TSHR (0.82) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL19025389 0.98 TSHR (0.82) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL9934514 0.98 TSHR (0.82) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL30387910 0.97 TSHR (0.79) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL18840132 0.95 CYP3A4 (0.81) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL5689658 0.93 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL10936889 0.93 TSHR (0.73) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL27423 0.92 CYP3A4 (1.00) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL30232580 0.92 CYP3A4 (1.00) TSHRCYP3A4ATMTDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118414416-A Liquid cleaning agent article 狮王株式会社 2024-07-30 CN disclosed
CN-108624143-B Blue-based oil-based pigment ink 理想科学工业株式会社 2022-02-18 CN disclosed
CN-109072138-B Detergent composition 狮王株式会社 2020-10-27 CN disclosed
US-5711939-A IMPROVED SPREADABILITY, WATER VAPOR PERMEABILITY, ETHYLHEXYL ESTER OF ETHYLHEXANOIC ACID DRAGOCO GERBERDING & CO., GMBH (DE) 1998-01-27 US disclosed
EP-0116621-B1 UTILISATION OF BRANCHED CHAIN CARBONIC ACID ESTERS WITH BRANCHED CHAIN ALCOHOLS AS COMPONENTS OF COSMETIC PRODUCTS Dragoco Gerberding & Co. GmbH (DE) 1987-05-13 EP disclosed
EP-0116621-A1 UTILISATION OF BRANCHED CHAIN CARBONIC ACID ESTERS WITH BRANCHED CHAIN ALCOHOLS AS COMPONENTS OF COSMETIC PRODUCTS. DRAGOCO GERBERDING CO GMBH (DE) 1984-08-29 EP disclosed
WO-1984000884-A1 UTILISATION OF BRANCHED CHAIN CARBONIC ACID ESTERS WITH BRANCHED CHAIN ALCOHOLS AS COMPONENTS OF COSMETIC PRODUCTS DRAGOCO GERBERDING CO GMBH (DE) 1984-03-15 WO disclosed