SCHEMBL9778702

SCHEMBL9778702

Cc1ccc(OCCOc2ccc(C3(C)SCCCS3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
DRD2 P14416 6/20 0.40
DRD4 P21917 6/20 0.40
DRD3 P35462 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL9778753 0.94 DRD2 (0.42) KDM4EDRD2DRD4DRD3L3MBTL1
SCHEMBL9778729 0.88 LTA4H (0.41) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9778701 0.87 HRH3 (0.49) ALDH1A1LMNAMAPK1HRH3
SCHEMBL28023851 0.85 MAOB (0.36) KMT2AKCNH2
SCHEMBL9778490 0.82 KDM4E (0.41) KDM4EDRD2DRD4DRD3L3MBTL1
SCHEMBL9778705 0.81 KCNA3 (0.44) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9778937 0.80 HPGD (0.48) ALDH1A1LMNAMAPK1HRH3
SCHEMBL9778739 0.80 NPC1 (0.49)
SCHEMBL9778754 0.79 BACE1 (0.47) DRD2DRD4DRD3
SCHEMBL2084258 0.77 MAOB (0.39) KCNH2

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