SCHEMBL7732137

SCHEMBL7732137

C=CC(=O)OC(C)(C)C.CC(C)(O)CCC(C)(C)O.Oc1ccc(C=CC=Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 4/20 0.43
AKR1B1 P15121 4/20 0.43
CA12 O43570 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MAOB P27338 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
TYR P14679 1/20 0.40
STAT3 P40763 1/20 0.39
CYP3A4 P08684 2/20 0.39
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL1506719 0.93 APP (0.43) AKR1B10AKR1B1CA12CA7CA9
4-Vinylphenol SCHEMBL6255521 0.85 MIF (0.42) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL6845429 0.84 CCNB2 (0.47) CA12CA7CA9CA14CA4
SCHEMBL7106755 0.83 CA12 (0.42) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL7139686 0.83 APP (0.41) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL2708958 0.83 CCNB2 (0.48) AKR1B10AKR1B1MAOBCYP19A1MAOA
SCHEMBL5440924 0.82 MAPT (0.46) AKR1B10AKR1B1CA12CA7CA9
4-Vinylphenol SCHEMBL6253860 0.82 MIF (0.43) AKR1B10AKR1B1CA12CA7CA9
SCHEMBL5442451 0.82 MMP1 (0.43) CA12CA7CA9CA14MAOB
SCHEMBL5438748 0.81 CA12 (0.43) AKR1B10AKR1B1CA12CA7CA9

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-6403288-B1 COATING WITH COPOLYMER COMPRISING HYDROXYSTYRENE DERIVATIVE MONOMER HAVING ACID DISSOCIABLE GROUP; EXPOSURE TO RADIATION; DEVELOPMENT JSR CORPORATION (JP) 2002-06-11 US disclosed