SCHEMBL4671001

SCHEMBL4671001

CC(S)C(=O)OCCCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.35
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NAAA Q02083 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL4670985 0.93 ACHE (0.42) ACHEALDH1A1NAAACYP4F2CYP4A11
SCHEMBL4449576 0.88 NAAA (0.38) ACHEALDH1A1ATMLMNAMAPT
SCHEMBL6304922 0.86
SCHEMBL4451896 0.86 NAAA (0.41) ACHEALDH1A1NAAA
SCHEMBL31091408 0.86 TSHR (0.39) ACHEALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL1171440 0.83 ALDH1A1 (0.36) ACHEALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2134226 0.82 ALDH1A1 (0.54) ACHEALDH1A1ATMLMNAMAPT
SCHEMBL2529912 0.81 ACHE (0.37) ACHEALDH1A1ATMCHRNB2CHRNB4
SCHEMBL4672718 0.80 BLM (0.36) ACHEALDH1A1LMNATDP1
SCHEMBL5830909 0.80 ALDH1A1 (0.43) ACHEALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734716-B1 Composition for permanent waving of human hair KAO CORP (JP) 1999-08-25 EP claimed
EP-0734715-B1 1,3-Butanediol thioglycolate isomer mixture and permanent waving composition comprising same KAO CORP (JP) 1999-01-20 EP claimed
EP-0764438-B1 Composition for permanent waving of human hair containing the non-soapable components of an vegetable oil KPSS KAO GMBH (DE) 2008-11-05 EP disclosed
EP-0791350-B2 Composition for permanent waving of human hair KPSS KAO GMBH (DE) 2006-04-05 EP disclosed
EP-0791350-B1 Composition for permanent waving of human hair GOLDWELL GMBH (DE) 2003-01-08 EP disclosed
EP-0820757-B1 Composition for permanent waving of human hair GOLDWELL GMBH (DE) 1999-03-17 EP disclosed
EP-0820757-A1 Composition for permanent waving of human hair GOLDWELL GmbH (DE) 1998-01-28 EP disclosed
EP-0791350-A2 Composition for permanent waving of human hair GOLDWELL GmbH (DE) 1997-08-27 EP disclosed
EP-0764438-A2 Composition for permanent waving of human hair GOLDWELL GmbH (DE) 1997-03-26 EP disclosed