SCHEMBL9778922

SCHEMBL9778922

Clc1cccc(OCCOc2ccc(C3OCCCO3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HRH3 Q9Y5N1 6/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FFAR1 O14842 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9778467 0.94 LMNA (0.49) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL9778840 0.86 MAOB (0.49) DRD2HRH3KCNH2MAOB
SCHEMBL9778602 0.84 MAOB (0.47) HTTHRH3KCNH2MAOBTAAR1
SCHEMBL9778909 0.84 L3MBTL1 (0.47) MAPK1SMN1; SMN2DRD2DRD4KDM4E
SCHEMBL9778856 0.81 KCNA3 (0.48) HTTHRH3KCNH2MAOBTAAR1
SCHEMBL9778641 0.80 MAOB (0.48) HTTSMN1; SMN2TP53TSHRMAOB
SCHEMBL9778597 0.79 MAOB (0.51) DRD2HRH3KCNH2MAOB
SCHEMBL9778546 0.79 LMNA (0.45) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL9778740 0.78 DRD2 (0.43) MAPK1HTTSMN1; SMN2DRD2DRD4
SCHEMBL9778747 0.78 MAOB (0.50) MAOBTAAR1

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