SCHEMBL6885338

SCHEMBL6885338

Cc1ccccc1C(NC(=O)c1ccc(CO)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.59
HPGDS O60760 1/20 0.51
ALDH1A1 P00352 6/20 0.49
HSD17B2 P37059 1/20 0.48
CYP3A4 P08684 1/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CTSA P10619 1/20 0.42

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
SCHEMBL6885342 0.95 SLC6A9 (0.53) SLC6A9HPGDSALDH1A1HSD17B2CYP3A4
SCHEMBL30530196 0.87 SLC6A9 (0.61) SLC6A9HPGDSALDH1A1HSD17B2CYP3A4
SCHEMBL2514848 0.84 HPGDS (0.57) SLC6A9HPGDSALDH1A1HSD17B2CYP3A4
SCHEMBL2514849 0.80 LMNA (0.56) SLC6A9HPGDSALDH1A1CYP3A4LMNA
SCHEMBL7518722 0.80 ALDH1A1 (0.60) SLC6A9HPGDSALDH1A1CYP3A4LMNA
SCHEMBL15985718 0.77 SMN1; SMN2 (0.50) SLC6A9HPGDSALDH1A1CYP3A4LMNA
SCHEMBL7518733 0.75 ALDH1A1 (0.61) SLC6A9HPGDSALDH1A1CYP3A4LMNA
SCHEMBL2014764 0.74 SLC6A9 (1.00) SLC6A9NPC1
SCHEMBL5206590 0.74 ALDH1A1 (0.82) SLC6A9HPGDSALDH1A1HSD17B2LMNA
SCHEMBL14677578 0.74 ALDH1A1 (0.58) SLC6A9ALDH1A1CYP3A4

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-6680206-B1 Sensor arrays for the measurement and identification of multiple analytes in solutions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-01-20 US disclosed