SCHEMBL7050398

SCHEMBL7050398

CCCCC(CC)C(O)CCC(CC)CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 5/20 0.36
TSHR P16473 2/20 0.36
CYP2D6 P10635 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36
CA2 P00918 2/20 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
SCHEMBL4884774 0.86 LMNA (0.54) ALDH1A1LMNA
Ethohexadiol SCHEMBL2442063 0.83 LMNA (0.70) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL22711758 0.82 LMNA (0.57) ALDH1A1LMNATDP1CYP3A4CYP2D6
SCHEMBL8041421 0.81 LMNA (0.54) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9722848 0.80 LMNA (0.65) ALDH1A1LMNATDP1CYP3A4CYP2D6
SCHEMBL4883985 0.79 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL28585659 0.79 LMNA (0.52) ALDH1A1LMNACYP3A4TSHRCYP2D6
SCHEMBL811914 0.79 LMNA (0.62) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9492501 0.79
SCHEMBL6249719 0.79 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718029-B1 Method for producing highly permeable composite reverse osmosis membrane NITTO DENKO CORP (JP) 2003-04-23 EP claimed