SCHEMBL29045829

SCHEMBL29045829

NCCOCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
LTA4H P09960 3/20 0.59
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FOXM1 Q08050 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL6852321 0.91 LMNA (0.64) MAOBLTA4HRAB9ASMN1; SMN2GAA
SCHEMBL11579595 0.89 LTA4H (0.72) MAOBLTA4HRAB9ASMN1; SMN2GAA
SCHEMBL5677947 0.85 LMNA (0.62) MAOBLTA4HRAB9ASMN1; SMN2GAA
SCHEMBL8037942 0.85 TAAR1 (0.75) LTA4HSMN1; SMN2TAAR1PLA2G2A
SCHEMBL8555021 0.85 TAAR1 (0.75) LTA4HSMN1; SMN2TAAR1PLA2G2A
SCHEMBL14223538 0.85 TAAR1 (0.75) LTA4HSMN1; SMN2TAAR1PLA2G2A
SCHEMBL9808056 0.85 LMNA (0.72) MAOBLTA4HRAB9ASMN1; SMN2GAA
SCHEMBL10795544 0.84 FOXM1 (0.57) MAOBLTA4HRAB9ASMN1; SMN2GAA
SCHEMBL6505543 0.84 MAOB (0.65) MAOBLTA4HRAB9ASMN1; SMN2GAA
SCHEMBL8675401 0.84 LMNA (0.60) MAOBLTA4HRAB9ASMN1; SMN2GAA

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
CN-115304502-B FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-10-18 CN disclosed
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