SCHEMBL8958265

SCHEMBL8958265

O=C(O)NCCCOCCOCCCNC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL20556415 1.00 TSHR (0.40) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL8958187 0.97 TSHR (0.41) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL21069080 0.91 MEN1 (0.46) TSHRRECQLNPC1HPGDRAB9A
Ethylene Glycol SCHEMBL8958263 0.91 ACHE (0.38) TSHRRECQLSMN1; SMN2MAPTHSD17B10
SCHEMBL12080215 0.89 TSHR (0.36) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL2330619 0.89 PAOX (0.39) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL21806080 0.89 PAOX (0.39) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL28453694 0.89 TSHR (0.36) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL31618226 0.89 TSHR (0.45) TSHRRECQLNPC1HPGDRAB9A
SCHEMBL19306452 0.89 TSHR (0.43) TSHRRECQLMEN1KMT2AMAPT

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-5484457-A Continuous production of surface dyeings on cellulose fiber textile materials BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5224963-A Improving perspiration fastness BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
US-5015754-A Cationic polyethers for fixing reative and direct dyes used for dyeing and printing cellulose textiles; washfastness BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed