SCHEMBL8675122

SCHEMBL8675122

CC(SC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A3 Q01959 1/20 0.44
PTGS2 P35354 2/20 0.42
GAA P10253 1/20 0.42
APAF1 O14727 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAP2K7 O14733 1/20 0.41
ELANE P08246 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRNP P04156 1/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL6683926 0.84 ALOX5 (0.50) CYP2D6LMNAMAPK1SLC6A3ALDH1A1
SCHEMBL8674588 0.84 SLC6A3 (0.42) CYP2D6SRCLMNAMAPK1SLC6A3
SCHEMBL16102369 0.80 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1PTGS2
SCHEMBL10996556 0.77 LMNA (0.52) CYP2D6SRCLMNAMAPK1SLC6A3
SCHEMBL10955738 0.76 ALDH1A1 (0.50) CYP2D6LMNASLC6A3ALDH1A1KDM4E
SCHEMBL24059868 0.74 CYP2D6 (0.38) CYP2D6SRCLMNAMAPK1PTGS2
SCHEMBL22198538 0.74 HPGD (0.42) CYP2D6SRCLMNAMAPK1PTGS2
SCHEMBL20544320 0.74 KDM4E (0.40) CYP2D6SRCLMNAMAPK1PTGS2
SCHEMBL776890 0.74 TSHR (0.48) CYP2D6SRCSLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL2007795 0.73 PTGS2 (0.72) CYP2D6SRCLMNAMAPK1PTGS2

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
US-5719168-A Acetamide derivatives and their use as feeding behaviour modifiers LABORATOIRE L. LAFON (FR) 1998-02-17 US disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed