SCHEMBL10613636

SCHEMBL10613636

COC(=O)N1C2C=CCC1C(S(=O)(=O)c1ccccc1)C2S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 3/20 0.36
MMP2 P08253 4/20 0.35
ANPEP P15144 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABCB1 P08183 1/20 0.33
HCRTR2 O43614 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32

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
SCHEMBL7948059 0.60 HTR6 (0.35) MMP2ANPEPCYP1A2CYP3A4CYP2C9
SCHEMBL13909345 0.58 L3MBTL1 (0.39) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL2000854 0.57 ALDH1A1 (0.49) CYP2C19ALDH1A1MAPTTSHRMEN1
SCHEMBL9470891 0.56 CYP1A2 (0.49) MMP2ANPEPCYP1A2CYP3A4CYP2C9
SCHEMBL20819898 0.55 CA1 (0.38) ELOVL6MMP2ALDH1A1MEN1KMT2A
SCHEMBL5455252 0.55 SMN1; SMN2 (0.54) MMP2ALDH1A1MAPTTSHRLMNA
SCHEMBL1734641 0.55 MMP2 (0.68) MMP2ANPEPCYP3A4CYP2C19ALDH1A1
SCHEMBL1734643 0.55 MMP2 (0.68) MMP2ANPEPCYP3A4CYP2C19ALDH1A1
SCHEMBL18711351 0.55 RBP4 (0.50) ELOVL6CYP3A4CYP2C19KMT2A
SCHEMBL4004910 0.55 CYP3A4 (0.60) MMP2CYP3A4CYP2C9CYP2C19ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63218676-A None JP disclosed
JP-S63218676-A AZABICYCLO COMPOUND AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1988-09-12 JP disclosed