SCHEMBL21636244

SCHEMBL21636244

CCOC(=O)C(=O)c1ccc(-c2ccc(C(=O)C(=O)OCC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL11839592 0.94 CES2 (0.54) MAPTALDH1A1CA12CA1CA2
SCHEMBL1172378 0.93 MAPT (0.60) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL11836859 0.91 CES2 (0.52) MAPTALDH1A1CYP1A2LMNACYP3A4
SCHEMBL16595710 0.91 MAPT (0.53) MAPTALDH1A1CYP1A2LMNAMEN1
SCHEMBL11845871 0.91 MAPT (0.53) MAPTALDH1A1CYP1A2LMNAMEN1
SCHEMBL6450300 0.89 CES2 (0.58) MAPTALDH1A1CA1CA2CES2
SCHEMBL16595486 0.88 MAPT (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL167161 0.88 CES2 (0.60) MAPTALDH1A1CA12CA1CA2
SCHEMBL641616 0.86 CA12 (0.66) MAPTALDH1A1CA12CA1CA2
SCHEMBL11838567 0.85 CES1 (0.56) MAPTALDH1A1LMNAMEN1KMT2A

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
WO-2020015964-A1 PHOTO-CURABLE RESIN COMPOSITION FOR 3D PRINTING CLARIANT INTERNATIONAL LTD (CH) 2020-01-23 WO disclosed
WO-2020015966-A1 PHOTO-CURABLE RESIN COMPOSITION FOR 3D PRINTING CLARIANT INTERNATIONAL LTD (CH) 2020-01-23 WO disclosed