SCHEMBL2594091

SCHEMBL2594091

CC(C)(CO)Cc1ccccc1.Cc1cccc(CC(C)(C)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
GMNN O75496 1/20 0.42
GABBR2 O75899 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29402967 0.95 ACHE (0.46) LMNAMEN1GMNNGABBR2ALDH1A1
SCHEMBL113407 0.95 ACHE (0.46) LMNAMEN1GMNNGABBR2ALDH1A1
SCHEMBL113690 0.85 SLC6A2 (0.54) LMNAMEN1GMNNGABBR2ALDH1A1
Ammonia Solution, Strong SCHEMBL28282036 0.83 SLC6A2 (0.52) LMNAMEN1GMNNGABBR2ALDH1A1
Alcohol SCHEMBL2979717 0.81 SLC6A2 (0.50) LMNAMEN1GMNNGABBR2ALDH1A1
SCHEMBL21189798 0.79 ACHE (0.44) TAAR1ACHEIDO1CTBP2
SCHEMBL11646214 0.78 MEN1 (0.47) LMNAMEN1GMNNGABBR2ALDH1A1
Acetic Acid SCHEMBL20515250 0.78 HIF1A (0.47) LMNAMEN1GMNNGABBR2ALDH1A1
SCHEMBL7094520 0.77 ALDH1A1 (0.59) LMNAMEN1GMNNGABBR2ALDH1A1
SCHEMBL20746216 0.77 TAAR1 (0.55) MEN1ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2932973-B1 FORMULATIONS FOR USE IN THE TREATMENT OF SKIN CONDITIONS SOLIGENIX INC (US) 2020-04-01 EP disclosed
EP-2571507-B1 FORMULATIONS AND METHODS OF TREATMENT OF SKIN CONDITIONS SOLIGENIX INC (US) 2017-01-04 EP disclosed
EP-2932973-A1 FORMULATIONS FOR USE IN THE TREATMENT OF SKIN CONDITIONS Soligenix, Inc. (US) 2015-10-21 EP disclosed
US-8641945-B2 Method of preparing aroma particles SYMRISE AG (DE) 2014-02-04 US disclosed
US-20130211371-A1 FORMULATIONS AND METHODS OF TREATMENT OF SKIN CONDITIONS HY BIOPHARMA, INC. (US) 2013-08-15 US disclosed
EP-2571507-A1 FORMULATIONS AND METHODS OF TREATMENT OF SKIN CONDITIONS HY Biopharma Inc. (US) 2013-03-27 EP disclosed
WO-2011139558-A1 FORMULATIONS AND METHODS OF TREATMENT OF SKIN CONDITIONS HY BIOPHARMA, INC. (US) 2011-11-10 WO disclosed
US-20100007040-A1 Method of preparing aroma particles SYMRISE GMBH & CO. KG (DE) 2010-01-14 US disclosed