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Sugi Predict / Compounds / SCHEMBL28354294

SCHEMBL28354294

SCHEMBL28354294

CC1(C)CC(O)CC(C)(C)N1OOC(=O)CCCCCCCCC(=O)OON1C(C)(C)CC(O)CC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX2 P34913 4/20 0.32
▸ NAAA Q02083 2/20 0.32
▸ DGKA P23743 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28539769 0.94 TSHR (0.35) MEN1KMT2AALDH1A1ALOX15TDP1
SCHEMBL23850586 0.83 KMT2A (0.43) MEN1GAAKMT2AEPHX2NAAA
SCHEMBL8503955 0.81 KMT2A (0.44) MEN1GAAKMT2AEPHX2NAAA
SCHEMBL22191358 0.80 LMNA (0.37) KMT2AEPHX2NAAADGKAALDH1A1
SCHEMBL3864411 0.78 MEN1 (0.40) MEN1GAAKMT2AEPHX2ALDH1A1
SCHEMBL27920695 0.75 NAAA (0.45) MEN1KMT2ANAAADGKATDP1
SCHEMBL6239478 0.75 NAAA (0.45) MEN1KMT2ANAAADGKATDP1
SCHEMBL7803186 0.74 GAA (0.36) GAA
SCHEMBL28364620 0.74 KMT2A (0.40) MEN1GAAKMT2AALDH1A1
SCHEMBL10999301 0.73 KMT2A (0.42) MEN1GAAKMT2AEPHX2ALDH1A1

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-110791321-B Coal tar hydrogenation scale inhibitor and preparation method thereof 浙江杭化科技股份有限公司 2021-06-08 — — CN disclosed
CN-110791321-A Coal tar hydrogenation scale inhibitor and preparation method thereof 浙江杭化科技股份有限公司 2020-02-14 — — CN disclosed