SCHEMBL11532136

SCHEMBL11532136

O=C(CCc1ccccn1)OCCOC(=O)CCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CYP2C19 P33261 1/20 0.53
HRH1 P35367 1/20 0.48
NAAA Q02083 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
FDPS P14324 1/20 0.45

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
SCHEMBL11532390 0.97 CA12 (0.58) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL11531289 0.95 NAAA (0.53) TDP1SMN1; SMN2CYP1A2CA12CA1
Ethylene Glycol SCHEMBL11535308 0.95 TDP1 (0.50) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL11535311 0.94 TDP1 (0.49) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL11534635 0.94 SMN1; SMN2 (0.55) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL27782025 0.92 HRH1 (0.54) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL4341122 0.88 LMNA (0.57) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL11769016 0.87 CYP1A2 (0.54) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL10014664 0.85 CA12 (0.54) TDP1SMN1; SMN2CYP1A2CA12CA1
SCHEMBL20224970 0.85 L3MBTL1 (0.51) TDP1SMN1; SMN2CYP1A2CYP2C19NPC1

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
US-4153795-A Cobalt pyridyl catalysts for hydroformylation DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-05-08 US disclosed