SCHEMBL8201565

SCHEMBL8201565

O=C(Cc1ccccc1)OOCC1CO1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.65
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PAM P19021 1/20 0.44

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
SCHEMBL3593285 0.84 MGLL (0.88) MGLLALDH1A1MAPK1L3MBTL1PAM
Benzene SCHEMBL9407299 0.75 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL664857 0.75 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL10839344 0.75 MGLL (0.57) MGLLTDP1
SCHEMBL6625857 0.74 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1PAM
SCHEMBL2877979 0.73 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL1140451 0.73 TDP1 (0.53) MGLLALDH1A1TDP1
SCHEMBL11445319 0.73 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL7759577 0.73 MGLL (0.62) MGLLALDH1A1TDP1
SCHEMBL32685092 0.73 MGLL (0.51) MGLLALDH1A1TDP1

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-1007101-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS Marsden, John Christopher (GB) 2000-06-14 EP disclosed
WO-1998018500-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1998-05-07 WO disclosed