SCHEMBL7864345

SCHEMBL7864345

CCCCOC(=O)CC(N)(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 2/20 0.42
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAD52 P43351 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4D Q08499 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL11788496 0.84 NAAA (0.44) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL27721712 0.81 NAAA (0.42) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL1412785 0.79 NAAA (0.47) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL4897036 0.78 NAAA (0.46) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL29013142 0.78 NAAA (0.46) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL15876200 0.76 ALDH1A1 (0.52) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL9001086 0.76 ALDH1A1 (0.52) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL522692 0.76 ALDH1A1 (0.52) NAAAALDH1A1ATMHCAR2DGKA
Citric Acid SCHEMBL25266373 0.75 ALDH1A1 (0.52) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL2184183 0.75 NAAA (0.56) NAAAALDH1A1HCAR2DGKAHTR2C

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
JP-10215890-A None JP disclosed
US-6303299-B1 HIGH SPEED; GENE EXPRESSION OF PROTEINS FROM NUCLEIC ACIDS IN PRESENCE OF SUPPRESSOR TRNA MISACYLATED WITH LABELED AMINO ACID UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-10-16 US disclosed
JP-H10215890-A PRODUCTION OF OPTICALLY ACTIVE ALPHA-(N-BUTOXYCARBONYL)-DIAMINOPROPIONIC ACID MITSUBISHI CHEM CORP 1998-08-18 JP disclosed