SCHEMBL3663548

SCHEMBL3663548

CCC(O)CCO.CCCCC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.38
PSMD14 O00487 2/20 0.38
PLA2G1B P04054 2/20 0.38
MMP2 P08253 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 1/20 0.38
LMNA P02545 3/20 0.37
GPR84 Q9NQS5 4/20 0.35
CYP2D6 P10635 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35

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
Propanol SCHEMBL27747409 0.86 THRB (0.52) THRBALDH1A1USP2PSMD14PLA2G1B
Ethylene Glycol SCHEMBL8398487 0.86 THRB (0.52) THRBALDH1A1USP2PSMD14PLA2G1B
SCHEMBL53705 0.86
SCHEMBL16269718 0.86 ALDH1A1 (0.52) THRBALDH1A1USP2PSMD14PLA2G1B
SCHEMBL1934981 0.86
SCHEMBL2381705 0.86
1,4-Butanediol SCHEMBL7155387 0.84 SMN1; SMN2 (0.52) THRBALDH1A1USP2PSMD14PLA2G1B
Butyl Alcohol SCHEMBL1123577 0.84 THRB (0.65) THRBALDH1A1USP2PSMD14PLA2G1B
Glycerin SCHEMBL278378 0.84 LMNA (0.50) THRBALDH1A1USP2PSMD14PLA2G1B
SCHEMBL18264885 0.84 THRB (0.48) THRBALDH1A1USP2PSMD14PLA2G1B

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
EP-2220159-A1 THERMOPLASTIC COMPOSITIONS FOR FOOTWEAR WITH NO MARKING CHARACTERISTICS Dow Global Technologies Inc. (US) 2010-08-25 EP disclosed
WO-2009071549-A1 THERMOPLASTIC COMPOSITIONS FOR FOOTWEAR WITH NO MARKING CHARACTERISTICS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-06-11 WO disclosed