SCHEMBL6312418

SCHEMBL6312418

CCCCCN(c1ccccn1)[C@@H](C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
OPRM1 P35372 5/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
NR1I2 O75469 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
AGTR1 P30556 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
SCHEMBL29433262 0.84 OPRM1 (0.44) OPRM1GAAPOLBALDH1A1CYP1A2
SCHEMBL11031009 0.80 NPC1 (0.50) MMP1MMP3ALDH1A1
SCHEMBL10782208 0.80 NPC1 (0.50) MMP1MMP3ALDH1A1
SCHEMBL6320167 0.76 NAAA (0.39) HDAC3HDAC1HDAC2MMP1MMP3
SCHEMBL28420962 0.75 EPOR (0.37) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL3342836 0.75 ALDH1A1 (0.45) HDAC6HDAC1GAAMMP1MMP3
SCHEMBL3342832 0.75 ALDH1A1 (0.45) HDAC6HDAC1GAAMMP1MMP3
SCHEMBL11139294 0.75 MMP1 (0.41) MMP1MMP3ALDH1A1CYP1A2
SCHEMBL7647560 0.75 TRPV1 (0.47) HDAC6HDAC3HDAC1HDAC2POLB
SCHEMBL6323990 0.75 TRPV1 (0.47) HDAC6HDAC3HDAC1HDAC2POLB

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
US-6869788-B2 DNA encoding novel D-aminoacylase and process for producing D-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2005-03-22 US disclosed
EP-1365023-A1 DNA ENCODING NOVEL D-AMINOACYLASE AND PROCESS FOR PRODUCING D-AMINO ACID BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2003-11-26 EP disclosed
US-20030207436-A1 Dna encoding novel d-aminoacylase and process for producing d-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2003-11-06 US disclosed