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Sugi Predict / Compounds / SCHEMBL28833723

SCHEMBL28833723

SCHEMBL28833723

CC1(C)CCCC(C)(C)N1.CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP19A1 P11511 8/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL3269617 0.94 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL11125192 0.94 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL14822502 0.94 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL3225241 0.94 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL11125187 0.94 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL39157 0.94 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
Ammonia Solution, Strong SCHEMBL4243822 0.93 ALDH1A1 (0.35) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL13779814 0.90 MAPK1 (0.38) LMNAALDH1A1MAPK1CYP19A1TDP1
SCHEMBL6050499 0.87 MAPK1 (0.32) LMNAALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL13588314 0.84 MAPK1 (0.38) LMNAALDH1A1MAPK1

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
CN-105218858-B A kind of additive for polymer 黄秀茹 2016-08-24 — — CN disclosed