Ethohexadiol

Ethohexadiol

SCHEMBL6976675

CCCC(O)C(CC)CO.CO

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.95
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
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
Ethohexadiol SCHEMBL38007 0.97 LMNA (1.00) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL6282991 0.97 LMNA (1.00) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL10731659 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL11502837 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL1110807 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL29399150 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL28358701 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL610774 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL20787860 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1
Ethohexadiol SCHEMBL27982443 0.95 LMNA (0.95) LMNATSHRALDH1A1CYP2D6SPHK1

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-1341759-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2003-09-10 EP disclosed
WO-2002038544-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO disclosed