SCHEMBL8664005

SCHEMBL8664005

CC(O)NCCNCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ECE1 P42892 2/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32

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
SCHEMBL19069934 0.84 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL8369782 0.79
Acetic Acid SCHEMBL3841808 0.79 FFAR3 (0.39) ALDH1A1TDP1
SCHEMBL25407138 0.79
SCHEMBL203810 0.79
SCHEMBL29222987 0.78 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9172901 0.78 LMNA (0.32) LMNATDP1
SCHEMBL10988936 0.78 LMNA (0.44) LMNACA1CA2CTH
SCHEMBL163217 0.78 LMNA (0.44) LMNACA1CA2CTH
SCHEMBL4047031 0.78 EGLN1 (0.35) ALDH1A1LMNAMAPTPTGS2TDP1

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-0674616-B1 ALPHA-AMINO-SUBSTITUTED ACETIC ACID SALTS OR ACIDS AND COSMETIC USES THEREOF RHODIA CHIMIE SA (FR) 1998-07-29 EP claimed
EP-0674616-A1 ALPHA-AMINO-SUBSTITUTED ACETIC ACID SALTS OR ACIDS AND COSMETIC USES THEREOF RHONE-POULENC CHIMIE (FR) 1995-10-04 EP claimed
WO-1994013621-A1 ALPHA-AMINO-SUBSTITUTED ACETIC ACID SALTS OR ACIDS AND COSMETIC USES THEREOF RHONE-POULENC CHIMIE (FR) 1994-06-23 WO claimed