SCHEMBL7410971

SCHEMBL7410971

CCCCOc1ccc(S(=O)(=O)c2ccc(CN3CCC(C(=O)OCC)CC3)cc2OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HRH3 Q9Y5N1 2/20 0.59
KCNH2 Q12809 4/20 0.55
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
S1PR5 Q9H228 1/20 0.50
LTA4H P09960 1/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR8 P51685 1/20 0.48

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
SCHEMBL7346576 0.92 KDM4E (0.66) KDM4EALDH1A1HRH3MAPTPOLB
SCHEMBL7409733 0.90 S1PR5 (0.63) KDM4EALDH1A1HRH3S1PR5KMT2A
SCHEMBL7406632 0.81 S1PR5 (0.62) ALDH1A1HRH3SMN1; SMN2S1PR5LTA4H
SCHEMBL7355105 0.81 L3MBTL1 (0.51) KDM4EALDH1A1HRH3TDP1SMN1; SMN2
SCHEMBL7347681 0.80 ALDH1A1 (0.64) KDM4EALDH1A1HRH3KCNH2MAPT
SCHEMBL7467785 0.78 HRH3 (0.76) KDM4EALDH1A1HRH3KCNH2MAPT
SCHEMBL7345881 0.76 S1PR5 (0.60) ALDH1A1HRH3KCNH2MAPTS1PR5
SCHEMBL7415473 0.75 L3MBTL1 (0.67) KDM4EALDH1A1HRH3MAPTSMN1; SMN2
SCHEMBL6988354 0.75 KDM4E (0.74) KDM4EALDH1A1HRH3MAPTPOLB
SCHEMBL22895271 0.74 KDM4E (0.77) KDM4EALDH1A1HRH3MAPTPOLB

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
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed