SCHEMBL28565698

SCHEMBL28565698

C=C(C)C(=O)OCC.Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MMP3 P08254 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
DHODH Q02127 2/20 0.44
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 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
Biphenyl SCHEMBL27587021 0.92 MAPT (0.57) MAPTALDH1A1MEN1KMT2ADHODH
Phenol SCHEMBL6136311 0.90 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ACA12
Phenol SCHEMBL6751269 0.90 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ACA12
Biphenyl SCHEMBL28631152 0.86 MAPT (0.51) MAPTALDH1A1MEN1KMT2ADHODH
Paraben SCHEMBL5143614 0.83 TDP1 (0.55) MAPTALDH1A1CA12CA1CA2
Catechol SCHEMBL27564074 0.82 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL2707013 0.81 CA12 (0.51) MAPTALDH1A1MEN1KMT2ACA12
Benzene SCHEMBL29271689 0.81 THRB (0.57) MAPTALDH1A1MEN1KMT2ALMNA
Benzene SCHEMBL7154663 0.81 THRB (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2432768 0.81 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ALMNA

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
CN-112831206-A Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2021-05-25 CN claimed
CN-112831206-A Inorganic oxide dispersion with controllable water content and preparation method thereof 凯斯科技股份有限公司 2021-05-25 CN disclosed