SCHEMBL8620850

SCHEMBL8620850

CCCCC(=O)CCC(C)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.45
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.41
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CA1 P00915 2/20 0.39
GPR84 Q9NQS5 3/20 0.39
NFKB1 P19838 1/20 0.38

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
SCHEMBL28169093 0.93 MAPT (0.54) MAPTKMT2ACES1CES2FFAR1
SCHEMBL12060078 0.91 MAPT (0.57) MAPTKMT2ACES1CES2FFAR1
SCHEMBL31695317 0.89 MAPT (0.48) MAPTKMT2ACES1CES2FFAR1
SCHEMBL2404264 0.86 ALDH1A1 (0.46) MAPTKMT2ACES1CES2ALDH1A1
Isopropyl Alcohol SCHEMBL4911456 0.85 CES1 (0.52) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL28078693 0.85 ALDH1A1 (0.54) KMT2AALDH1A1TP53CA1
SCHEMBL10695635 0.84 MAPT (0.54) MAPTKMT2ACES1CES2FFAR1
SCHEMBL22339977 0.84 ALDH1A1 (0.45) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL109369 0.84 KMT2A (0.46) MAPTKMT2ACES1CES2ALDH1A1
SCHEMBL28284858 0.83 MAPT (0.57) MAPTKMT2ACES1CES2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592881-B1 Process for producing optically active gamma-hydroxyketones TAKASAGO PERFUMERY CO LTD (JP) 1998-05-20 EP disclosed
US-5349107-A Ruthenium optically active phosphine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-09-20 US disclosed
EP-0592881-A2 Process for producing optically active gamma-hydroxyketones Takasago International Corporation (JP) 1994-04-20 EP disclosed