SCHEMBL8416103

SCHEMBL8416103

CC1(C)[CH]CC(NC2CCCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL8417104 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10
SCHEMBL8520617 0.94 ALDH1A1 (0.39) ALDH1A1HSD17B10
SCHEMBL8417328 0.79
SCHEMBL8414446 0.77
SCHEMBL8417111 0.76 RB1 (0.33) L3MBTL1
SCHEMBL26250043 0.72 ALDH1A1 (0.60) ALDH1A1HSD17B10BCHEACHEADH1B
Ethane SCHEMBL9776531 0.69 ALDH1A1 (0.86) ALDH1A1HSD17B10BCHEACHEADH1B
SCHEMBL24771540 0.69 ALDH1A1 (1.00) ALDH1A1HSD17B10BCHEACHEADH1B
SCHEMBL24839013 0.69 ALDH1A1 (1.00) ALDH1A1HSD17B10BCHEACHEADH1B
SCHEMBL18657086 0.69 ALDH1A1 (1.00) ALDH1A1HSD17B10BCHEACHEADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939760-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB Biotech Inc. (CA) 1999-09-08 EP disclosed
WO-1998021221-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 WO disclosed