SCHEMBL29045808

SCHEMBL29045808

COC(=O)C(N)CCOCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.65
EPOR P19235 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL733465 0.84 LTA4H (0.55) LTA4HNPC1SMN1; SMN2LMNA
SCHEMBL733464 0.84 LTA4H (0.55) LTA4HNPC1SMN1; SMN2LMNA
SCHEMBL735424 0.84 LTA4H (0.55) LTA4HNPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL734142 0.83 LTA4H (0.54) LTA4HNPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL734141 0.83 LTA4H (0.54) LTA4HNPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL736449 0.83 LTA4H (0.54) LTA4HNPC1SMN1; SMN2LMNA
SCHEMBL1833133 0.81 LTA4H (0.54) LTA4HNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1833135 0.81 LTA4H (0.54) LTA4HNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6162332 0.81 LTA4H (0.74) LTA4HEPORNPC1RAB9ASMN1; SMN2
SCHEMBL7921142 0.81 LTA4H (0.74) LTA4HEPORNPC1RAB9ASMN1; SMN2

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
CN-115304502-A FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-11-08 CN disclosed