SCHEMBL27488989

SCHEMBL27488989

CC(C(=O)Cl)=C(N)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 1/20 0.36
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL6544619 0.81 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2C19LMNA
SCHEMBL6544624 0.81 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2C19LMNA
SCHEMBL28329805 0.73
SCHEMBL13729334 0.71 ALOX15 (0.41) ALDH1A1TDP1LMNAALOX15
SCHEMBL5104397 0.68 ALDH1A1 (0.39) ALDH1A1TDP1CA2CYP2C19LMNA
SCHEMBL7278857 0.67
SCHEMBL27627469 0.67 TDP1 (0.48) ALDH1A1TDP1CA2CYP2C19LMNA
Hydrochloric Acid SCHEMBL16236601 0.67 ALDH1A1 (0.37) ALDH1A1TDP1CA2
Isovaleramide SCHEMBL6055503 0.66 ALDH1A1 (0.53) ALDH1A1TDP1CA2CYP2C19LMNA
SCHEMBL4962965 0.66 ALDH1A1 (0.53) ALDH1A1TDP1CA2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547683-A Novel inverse latex of anionic polyelectrolytes in silicone oils SEPPIC SA (FR) 2009-09-30 CN disclosed
CN-1698647-A Fat-binding polymers GENZYME CORP (US) 2005-11-23 CN disclosed
CN-1212123-C Fat-binding polymers GELTEX PHARMA INC (US) 2005-07-27 CN disclosed
CN-1288381-A Fat-binding polymers GELTEX PHARCEUTICALS INC (US) 2001-03-21 CN disclosed