SCHEMBL8214792

SCHEMBL8214792

CC(C)(COCC(C)(C)N1CCOCC1)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL18775073 0.84 ALDH1A1 (0.36) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL18872255 0.83 SMN1; SMN2 (0.36) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL16075552 0.77 MAPT (0.41) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL16975531 0.77 MEN1 (0.42) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL9921756 0.76 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL17393082 0.76 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL17486664 0.75 MAPT (0.40) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL5839782 0.74 ALDH1A1 (0.37) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL16975487 0.74 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL6893345 0.74 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2ASMN1; 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-6027777-A FOR FABRICATION OF APPLIANCES FOR FIXING, SUPPORTING, CORRECTING, HOLDING HUMAN BODIES, CHARACTERIZED BY A MAIN FORMING MATERIAL BODY INCLUDING GRANULATED MATERIALS COATED WITH MOISTURE-CURABLE URETHANE PREPOLYMER; MEDICAL EQUIPMENT ALCARE CO. LTD. (JP) 2000-02-22 US disclosed