SCHEMBL9778697

SCHEMBL9778697

Cc1ccc(OCCOc2ccc(C3OCCCO3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
KCNH2 Q12809 4/20 0.41
HRH3 Q9Y5N1 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9778777 0.93 DRD2 (0.43) KDM4EDRD2DRD4DRD3KCNH2
SCHEMBL9778800 0.90 KCNH2 (0.44) KDM4EDRD2DRD4DRD3KCNH2
SCHEMBL9779134 0.87 KDM4E (0.45) KDM4EKCNH2HRH3SMN1; SMN2
SCHEMBL9778708 0.86 SMN1; SMN2 (0.45) KDM4EL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9778775 0.86 HRH3 (0.50) HRH3SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9778909 0.86 L3MBTL1 (0.47) KDM4EDRD2DRD4DRD3L3MBTL1
SCHEMBL9778602 0.85 MAOB (0.47) KCNH2HRH3ALDH1A1
SCHEMBL9778740 0.85 DRD2 (0.43) KDM4EDRD2DRD4DRD3KCNH2
SCHEMBL3083609 0.84 RAB9A (0.44) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL9778840 0.84 MAOB (0.49) DRD2DRD3KCNH2HRH3L3MBTL1

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