SCHEMBL9778604

SCHEMBL9778604

COc1ccc(OCCOc2ccc(C3SCCS3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.47
MAOA P21397 4/20 0.44
MAOB P27338 3/20 0.42
IDO1 P14902 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM1A O60341 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9778760 0.93 KDM4E (0.45) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL10642813 0.89 MAOA (0.51) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL9778699 0.86 MAPT (0.60) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL9778849 0.85 APP (0.54) KDM4EALDH1A1LMNAMAPTMAOB
SCHEMBL9778698 0.84 ALDH1A1 (0.51) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL9778436 0.83 MAOB (0.51) KDM4EALDH1A1LMNAMAPTMAOB
SCHEMBL9778647 0.82 ALDH1A1 (0.47) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL1344540 0.82 TSHR (0.50) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL9778895 0.81 MAPT (0.46) KDM4EALDH1A1LMNAMAPTMAOA
SCHEMBL9778636 0.80 MAPT (0.54) KDM4EALDH1A1LMNAMAPTMAOA

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