SCHEMBL9778581

SCHEMBL9778581

c1ccc(COc2ccc(C3OCCCO3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOB P27338 6/20 0.49
MAOA P21397 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTA4H P09960 1/20 0.47
BCHE P06276 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NR4A1 P22736 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
SCHEMBL9778547 0.98 MAOB (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9778601 0.94 HRH3 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10752061 0.94 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9778725 0.85 RXRA (0.47) LMNARAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9778813 0.85 APP (0.51) MAOBRAB9AMAPTSMN1; SMN2HRH3
SCHEMBL9778590 0.85 NPC1 (0.51) MAOBMAOARAB9ALTA4HNPC1
SCHEMBL9778520 0.85 MAOB (0.51) MAOBMAOARAB9AMAPTSMN1; SMN2
SCHEMBL9778775 0.85 HRH3 (0.50) MAOBMAOARAB9AMAPTSMN1; SMN2
SCHEMBL9778602 0.84 MAOB (0.47) MAOBMAOALTA4HHRH3
SCHEMBL9778889 0.83 MAOB (0.51) MAOBMAOA

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed