SCHEMBL14201231

SCHEMBL14201231

C=C1CC(C)(C)Oc2cc(S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR6 P50406 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCC9 O60706 1/20 0.35
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
PNMT P11086 1/20 0.35
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2953559 0.85 ALDH1A1 (0.56) MAOBALDH1A1KDM4EMAPT
SCHEMBL27722273 0.73 HTR6 (0.41) MAOBALDH1A1KDM4EHTR6SMN1; SMN2
SCHEMBL3956732 0.73 MAOB (0.56) MAOBALDH1A1KDM4EHTR6MAPT
SCHEMBL2898016 0.72 HTR6 (0.40) ALDH1A1HTR6SMN1; SMN2POLBMAPT
SCHEMBL9149858 0.69 HTR6 (0.40) ALDH1A1HTR6SMN1; SMN2POLBMAPT
SCHEMBL30065891 0.68 ALDH1A1 (0.61) MAOBALDH1A1KDM4EMAPT
SCHEMBL9293231 0.68 MAOB (0.46) MAOBALDH1A1KDM4EHTR6MAPT
SCHEMBL27959927 0.67 HTR6 (0.50) ALDH1A1HTR6SMN1; SMN2POLBMAPT
SCHEMBL13513169 0.65 HTR2C (0.50) ALDH1A1HTR6SMN1; SMN2POLBMAPT
SCHEMBL5728450 0.65 MAOB (0.39) MAOBALDH1A1KDM4EHTR6SMN1; SMN2

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
EP-1831191-B1 CHROMAN DERIVATIVES AND THEIR USE AS 5-HT RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-05-21 EP disclosed