SCHEMBL2483550

SCHEMBL2483550

CC(C)N(Cc1ccc(O)cc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 2/20 0.48
ESR1 P03372 7/20 0.47
ESR2 Q92731 5/20 0.47
ALDH1A1 P00352 1/20 0.43
ALDH2 P05091 1/20 0.43
ABAT P80404 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ADRB2 P07550 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
GALR3 O60755 1/20 0.41
ADRB1 P08588 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 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
SCHEMBL26267232 0.88 HDAC1 (0.59) HDAC1HDAC8HDAC6TAAR1SLC6A2
SCHEMBL8252038 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6TAAR1ALDH1A1
SCHEMBL819942 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6TAAR1SLC6A2
SCHEMBL27534382 0.78 ESR1 (0.52) TAAR1SLC6A2ESR1ESR2ALDH1A1
SCHEMBL27259041 0.78 TAAR1 (0.45) TAAR1SLC6A2ESR1ESR2ALDH1A1
SCHEMBL9416592 0.78 BCHE (0.53) TAAR1SLC6A2ESR1ESR2ALDH1A1
SCHEMBL1639815 0.77 HDAC1 (0.55) HDAC1HDAC8HDAC6TAAR1ALDH1A1
SCHEMBL3146362 0.77 HDAC1 (0.50) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL608453 0.76 TSHR (0.54) HDAC1HDAC8HDAC6TAAR1SLC6A2
Hydrochloric Acid SCHEMBL3333918 0.75 LPL (0.50) HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO claimed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP claimed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO claimed
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO disclosed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP disclosed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO disclosed
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed