SCHEMBL9778490

SCHEMBL9778490

CCC1(c2ccc(OCCOc3ccc(C)cc3)cc2)SCCCS1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 5/20 0.38
DRD4 P21917 5/20 0.38
DRD3 P35462 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9778734 0.94 DRD2 (0.40) KDM4EDRD2DRD4DRD3L3MBTL1
SCHEMBL9778528 0.88 LTA4H (0.42) MEN1KMT2ATSHRALDH1A1
SCHEMBL9778801 0.87 HRH3 (0.47) NPC1ALDH1A1HRH3
SCHEMBL9778702 0.82 KDM4E (0.43) KDM4EDRD2DRD4DRD3L3MBTL1
SCHEMBL9778956 0.81 HPGD (0.46) NPC1ALDH1A1HRH3
SCHEMBL19925337 0.81 MAOB (0.35) KCNH2
SCHEMBL9778544 0.77 MMP2 (0.46) KDM4EL3MBTL1MEN1KMT2ANPC1
SCHEMBL9778753 0.75 DRD2 (0.42) KDM4EDRD2DRD4DRD3L3MBTL1
SCHEMBL9778826 0.72 PPARA (0.43) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL313373 0.71 DRD2 (0.64) KDM4EDRD2DRD4DRD3L3MBTL1

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