SCHEMBL1608533

SCHEMBL1608533

CC(C)N(CC(O)CCO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ABCB1 P08183 14/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5046552 0.79 LMNA (0.42) THRBABCB1TDP1
SCHEMBL5041950 0.79 LMNA (0.42) THRBABCB1TDP1
SCHEMBL723158 0.79 LMNA (0.42) THRBABCB1TDP1
SCHEMBL13532780 0.78 THRB (0.42) THRB
SCHEMBL22215204 0.74 TSHR (0.40) ABCB1
SCHEMBL2586284 0.74
SCHEMBL10947720 0.73 SPHK1 (0.50)
SCHEMBL5046571 0.72 ABCB1 (0.38) ABCB1
SCHEMBL5046551 0.72 ABCB1 (0.38) ABCB1
SCHEMBL5041947 0.72 ABCB1 (0.38) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568520-B2 CO2 recovery system and CO2 absorption liquid KABUSHIKI KAISHA TOSHIBA (JP) 2013-10-29 US disclosed
US-20110079151-A1 CO2 RECOVERY SYSTEM AND CO2 ABSORPTION LIQUID KABUSHIKI KAISHA TOSHIBA (JP) 2011-04-07 US disclosed