SCHEMBL9812541

SCHEMBL9812541

CCN(CC)CCOCC#CCOCCN(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 3/20 0.35
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.33
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP1A2 P05177 1/20 0.32
LTA4H P09960 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 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
SCHEMBL5322174 0.81 MEN1 (0.50) MEN1KMT2APOLBALDH1A1KCNH2
SCHEMBL11232852 0.81 KMT2A (0.47) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL135077 0.81 MEN1 (0.61) MEN1KMT2APOLBALDH1A1KCNH2
SCHEMBL12918863 0.78 MEN1 (0.58) MEN1KMT2APOLBALDH1A1KCNH2
Hydrochloric Acid SCHEMBL11278283 0.78 MEN1 (0.58) MEN1KMT2APOLBALDH1A1KCNH2
SCHEMBL9705183 0.78 MEN1 (0.58) MEN1KMT2APOLBALDH1A1KCNH2
SCHEMBL9705194 0.77 MEN1 (0.52) MEN1KMT2APOLBKCNH2KDM4E
SCHEMBL830565 0.76 MEN1 (0.56) MEN1KMT2APOLBALDH1A1KCNH2
SCHEMBL11578229 0.76 MEN1 (0.56) MEN1KMT2APOLBALDH1A1KCNH2
SCHEMBL9812483 0.74 MEN1 (0.54) MEN1KMT2APOLBALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049670-A Pour point MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-17 US disclosed
US-4929725-A NONFLAMMABLE, HYDRAULIC FLUIDS MOORE GEORGE G I (US) 1990-05-29 US disclosed
US-4788339-A HIGH BOILING, LOW POUR POINT; HYDRAULIC FLUIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-29 US disclosed