SCHEMBL3662087

SCHEMBL3662087

N[C@@H](Cc1cccc2ccccc12)C(=O)OC(=O)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
AKT1 P31749 2/20 0.43
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
FGFR3 P22607 1/20 0.43
GSK3A P49840 1/20 0.43
RPS6KA3 P51812 1/20 0.43
LIMK1 P53667 1/20 0.43
PRKCD Q05655 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
CYP1A2 P05177 1/20 0.41
MTNR1A P48039 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
SCHEMBL1902233 0.81 ATM (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL6018293 0.81 ATM (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL9500867 0.80 SLC1A3 (0.45) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL7262986 0.80 KMT2A (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL7066174 0.80 ATM (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL9632609 0.80 ATM (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL8465002 0.80 KMT2A (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL9630734 0.80 ATM (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL3936305 0.80 KMT2A (0.50) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1
Hydrochloric Acid SCHEMBL7257593 0.79 KMT2A (0.49) CTNNB1SLC1A3SLC1A2SLC1A1L3MBTL1

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-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed