SCHEMBL7130414

SCHEMBL7130414

O=C(CCN1CCOCC1)N1CCN(C(=O)CCN2CCOCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
TSHR P16473 2/20 0.64
ALOX15 P16050 1/20 0.64
GLA P06280 2/20 0.62
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MPI P34949 1/20 0.46
CYP2C19 P33261 1/20 0.46
FKBP1A P62942 1/20 0.46

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
SCHEMBL7130429 0.96 GLA (0.62) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL14627467 0.89 TSHR (0.53) HSD17B10TSHRALOX15GLAHTR1A
Sulfuric Acid SCHEMBL30521499 0.89 GLA (0.55) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL27976382 0.88 GLA (0.53) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL13043930 0.87 HRH3 (0.51) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL14595354 0.85 SMN1; SMN2 (0.51) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL4813984 0.84 HTR7 (0.61) HSD17B10TSHRHTR1AHTR7ALDH1A1
SCHEMBL9432621 0.83 GLA (0.49) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL3459566 0.83 GLA (0.49) HSD17B10TSHRALOX15GLAHTR1A
SCHEMBL27976384 0.83 TSHR (0.53) HSD17B10TSHRALOX15GLAHTR1A

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-6506939-B1 Producing N-substituted acrylamides and tertiary amines CIBA SPECIALTY CHEMICALS WATER TREATMENTS LTD. (GB) 2003-01-14 US disclosed
EP-1140797-A1 PRODUCTION OF ACRYLIC MONOMERS Ciba Specialty Chemicals Water Treatments Limited (GB) 2001-10-10 EP disclosed
WO-2000041996-A1 PRODUCTION OF ACRYLIC MONOMERS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2000-07-20 WO disclosed