SCHEMBL8010249

SCHEMBL8010249

CCCCCCCCCCCCCCCC(=O)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CDC25B P30305 4/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B3 P37058 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40

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
SCHEMBL7525229 0.93 FABP3 (0.46) ALDH1A1HPGDLMNACYP3A4TDP1
SCHEMBL9322076 0.81 MGLL (0.51) ALDH1A1POLBHPGDLMNAMAPT
SCHEMBL9319781 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1TDP1MAPT
SCHEMBL10337054 0.81 MGLL (0.51) ALDH1A1POLBHPGDLMNAMAPT
SCHEMBL9321246 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1TDP1MAPT
SCHEMBL21771829 0.79 HSD17B3 (0.45) ALDH1A1MEN1KMT2AGAAHSD17B3
SCHEMBL9319747 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDLMNACYP2C9
SCHEMBL21771848 0.77 HSD17B3 (0.44) ALDH1A1MEN1KMT2AHSD17B3MAPT
SCHEMBL21771819 0.75 HSD17B3 (0.42) ALDH1A1MEN1KMT2AHSD17B3MAPT
SCHEMBL6153970 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATDP1

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
CN-104854122-A Purification of recombinant human galactocerebroside-beta-galactosidase (rhGALC) ACE BIOSCIENCES AS 2015-08-19 CN disclosed
US-6162614-A Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity TOYO BOSEKI KABUSHIKI KAISHA (JP) 2000-12-19 US disclosed