SCHEMBL4290928

SCHEMBL4290928

O=C(O)C(=O)CC1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
TAAR1 Q96RJ0 1/20 0.45
EPHX1 P07099 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL971269 0.85 ALDH1A1 (0.47) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL2127670 0.84 ALDH1A1 (0.44) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL10568010 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL22607754 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL10568015 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL10569720 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL11626141 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL22607753 0.83 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL6165925 0.83 ALDH1A1 (0.45) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL7994480 0.82 ALDH1A1 (0.43) ALDH1A1HPGDTAAR1EPHX1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325208-A1 Biosynthesis of Salinosporamide A and Analogs and Methods Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-12-31 US disclosed
WO-2008002600-A2 BIOSYNTHESIS OF SALINOSPORAMIDE A AND ANALOGS AND METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-03 WO disclosed