SCHEMBL5344355

SCHEMBL5344355

CC(C)CC(C)C(OC(C(C)CC(C)C)C(O)CO)C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8532258 0.78 TSHR (0.44) TSHRTDP1LMNAL3MBTL1
SCHEMBL2306637 0.76 TSHR (0.41) TSHRTDP1LMNAL3MBTL1
SCHEMBL7734871 0.75 TDP1 (0.40) TSHRTDP1LMNAL3MBTL1
SCHEMBL27826100 0.72 ALDH1A1 (0.32) TSHR
SCHEMBL9740003 0.69 TSHR (0.47) TSHRTDP1LMNAL3MBTL1
SCHEMBL43099 0.67 TSHR (0.44) TSHRTDP1LMNAL3MBTL1
SCHEMBL12938329 0.67 TSHR (0.44) TSHRTDP1LMNAL3MBTL1
SCHEMBL22574870 0.67 TDP1 (0.36) TSHRTDP1LMNAL3MBTL1
SCHEMBL8756238 0.66 TSHR (0.50) TSHRTDP1
SCHEMBL13944672 0.66 TSHR (0.50) TSHRTDP1

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
US-20070111923-A1 SULFURIC ACID AMINE SALT, SULFONIC ACID AMINE SALT, PRODUCTION THEREOF AND SOFTENER COMPOSITION KONO JUN 2007-05-17 US disclosed
US-7179783-B2 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KAO CORPORATION (JP) 2007-02-20 US disclosed
US-20060116314-A1 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KONO JUN 2006-06-01 US disclosed
US-20040023831-A1 Sulfuric acid amine salt, sulfonic acid amine salt, production thereof and softener composition KAO CORPORATION (JP) 2004-02-05 US disclosed
EP-1354872-A1 Sulfuric acid ester amine salts, sulfonic acid amine salts, production thereof and softener composition KAO CORPORATION (JP) 2003-10-22 EP disclosed