SCHEMBL8200544

SCHEMBL8200544

C#CC[C@@H](C)CC(=O)c1cc(CC(C)C)c(O)c(CC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FFAR1 O14842 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7663872 0.82 EGFR (0.39) FFAR1ALOX5PTGS1PTGS2
SCHEMBL28814202 0.79 GABRA1 (0.40) GABRA1GABRB2FFAR1ALDH1A1NPC1
SCHEMBL28814204 0.79 GABRA1 (0.40) GABRA1GABRB2FFAR1ALDH1A1NPC1
SCHEMBL4190600 0.77 ALOX5 (0.58) ALOX5PTGS1PTGS2ALDH1A1HPGD
SCHEMBL1122668 0.77 ALOX5 (0.58) ALOX5PTGS1PTGS2ALDH1A1HPGD
SCHEMBL12237058 0.72 ALDH1A1 (0.53) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17260566 0.71 ALDH1A1 (0.56) GABRA1GABRB2PTGS2ALDH1A1HPGD
SCHEMBL12237075 0.71 SLC6A2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12237077 0.70 POLB (0.50) ALDH1A1NPC1RAB9A
SCHEMBL12237067 0.70 PARP1 (0.44) ALDH1A1HPGDSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800470-A1 SKIN LIGHTENING COMPOSITIONS Merz North America, Inc. (US) 2014-11-12 EP disclosed
WO-2013103874-A1 SKIN LIGHTENING COMPOSITIONS LASYA, INC. (US) 2013-07-11 WO disclosed
US-6068834-A ORALLY ADMINISTERING A MELANINS REDUCING OXY PHENOL COMPOUND TO THE MAMMAL FOR LIGHTENING THE MAMMALIAN SKIN; TYROSINASE INHIBITOR THE PROCTER & GAMBLE COMPANY (US) 2000-05-30 US disclosed