SCHEMBL13972703

SCHEMBL13972703

CC(C)(C)SNCCCCC(=O)NCCSCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
HPGD P15428 9/20 0.57
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL10113589 0.81 ALDH1A1 (0.55) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL17633769 0.81 HPGD (0.64) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL17633768 0.78 ALDH1A1 (0.70) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL10113858 0.77 ALDH1A1 (0.55) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL17633820 0.76 ALDH1A1 (0.60) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL8353967 0.75 ALDH1A1 (0.74) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL10113552 0.74 MAPT (0.46) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL6164992 0.73 ALDH1A1 (0.77) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL6164990 0.73 ALDH1A1 (0.77) ALDH1A1HPGDKMT2ALMNAMEN1
SCHEMBL17633919 0.73 ALDH1A1 (1.00) ALDH1A1HPGDKMT2ALMNAMEN1

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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed