SCHEMBL6314451

SCHEMBL6314451

CCCCCN(c1ccc2ccccc2c1)[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
CCKBR P32239 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CETP P11597 1/20 0.41
BCHE P06276 1/20 0.41
JAK2 O60674 1/20 0.41
PAX8 Q06710 1/20 0.41
EPHX1 P07099 1/20 0.40
TACR1 P25103 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL11031009 0.86 NPC1 (0.50) NPC1RAB9AJAK2PAX8TACR1
SCHEMBL10782208 0.86 NPC1 (0.50) NPC1RAB9AJAK2PAX8TACR1
SCHEMBL3342836 0.81 ALDH1A1 (0.45) NPC1RAB9ALMNASMN1; SMN2JAK2
SCHEMBL3342832 0.81 ALDH1A1 (0.45) NPC1RAB9ALMNASMN1; SMN2JAK2
SCHEMBL6320603 0.77 SMPD2 (0.44) CCKBRMMP1MMP3
SCHEMBL25440275 0.77 NPC1 (0.40) PPARGPPARANPC1RAB9ALMNA
SCHEMBL7004558 0.77 BCHE (0.47) CCKBRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL30893951 0.76 ALDH1A1 (0.43) PPARGPPARASMN1; SMN2EPHX1
SCHEMBL6320167 0.76 NAAA (0.39) NPC1RAB9ALMNASMN1; SMN2JAK2
SCHEMBL8905955 0.76 PPARG (0.45) PPARGPPARANPC1RAB9ALMNA

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