SCHEMBL2389010

SCHEMBL2389010

O=C(CN1C(=O)CCC1=O)SCCOCCOCCOCCO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL22543431 0.73 MGLL (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28931864 0.73 MGLL (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL43850 0.72 SMN1; SMN2 (0.38) ALDH1A1ALOX12MEN1KMT2ASMN1; SMN2
SCHEMBL14325520 0.71 MGLL (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL26177011 0.68 ALDH1A1 (0.39) ALDH1A1ALOX12MEN1KMT2ASMN1; SMN2
SCHEMBL121100 0.68 TSHR (0.40) ALDH1A1ALOX12MEN1KMT2ASMN1; SMN2
SCHEMBL12023038 0.68 TSHR (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8859577 0.67 RAB9A (0.36) ALDH1A1ALOX12MEN1KMT2ASMN1; SMN2
SCHEMBL5088057 0.67 TSHR (0.37) ALDH1A1ALOX12MEN1KMT2ASMN1; SMN2
SCHEMBL16937301 0.66 MEN1 (0.44) ALDH1A1ALOX12MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110229556-A1 LIPID-COATED POLYMER PARTICLES FOR IMMUNE STIMULATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-09-22 US disclosed