SCHEMBL11315083

SCHEMBL11315083

CCCCON(C)C(=O)N(C)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
DNM1 Q05193 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CYP3A4 P08684 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5158546 0.91 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL18359032 0.84 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15281943 0.82 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL5159255 0.82 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL23768611 0.80 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL2838639 0.77 TSHR (0.50) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL238944 0.77 TSHR (0.43) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL11774432 0.76
SCHEMBL11597644 0.76 ALDH1A1 (0.36) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL5156823 0.76 ALDH1A1 (0.36) ALDH1A1ATMTSHRHPGDDNM1

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-4299592-A Printing of textile materials BASF AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed