SCHEMBL3205528

SCHEMBL3205528

CC(=O)OC(=O)C1=CCC(=O)C=C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL48012 0.81 LMNA (0.37) ALDH1A1TSHR
SCHEMBL11229915 0.78 NFKB1 (0.39) ALDH1A1
SCHEMBL1682242 0.78 CA12 (0.43) ALDH1A1TSHR
SCHEMBL47924 0.76 CA12 (0.42) ALDH1A1TSHR
SCHEMBL47935 0.74 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL10870360 0.73 GSK3A (0.35)
SCHEMBL8187265 0.71 LMNA (0.44) ALDH1A1
SCHEMBL36449 0.71 GSK3A (0.33) TSHR
SCHEMBL8535227 0.69 PIM1 (0.36)
SCHEMBL484558 0.69 CYP3A4 (0.45) ALDH1A1TSHR

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
US-20100048521-A1 COMBINATION OF A GLUCO-KORTICOID AND BETA-CYCLODEXTRIN CONJUGATED VITAMIN A-DERIVATE COMPLEX PHARMA MEDICO RESEARCH LIMITED (GI) 2010-02-25 US disclosed
EP-2081578-A1 COMBINATION OF A GLUCOCORTICOID AND A BETA-CYCLODEXTRIN CONJUGATED VITAMIN A DERIVATE COMPLEX Pharma Medico Research Limited (GI) 2009-07-29 EP disclosed
US-7557094-B2 Skin cream composition ETHICS COSMECEUTICALS AB (SE) 2009-07-07 US disclosed
WO-2008035982-A1 COMBINATION OF A GLUCOCORTICOID AND A β-CYCLODEXTRIN CONJUGATED VITAMIN A DERIVATE COMPLEX PHARMA MEDICO RESEARCH LIMITED (GI) 2008-03-27 WO disclosed
EP-1341517-B1 A SKIN CREAM COMPOSITION ETHICS COSMECEUTICALS AB (SE) 2006-09-06 EP disclosed
US-20040043963-A1 Skin cream composition WADLUND AS (NO) 2004-03-04 US disclosed
EP-1341517-A1 A SKIN CREAM COMPOSITION Wadlund AS (NO) 2003-09-10 EP disclosed
WO-2002038123-A1 A SKIN CREAM COMPOSITION WADLUND AS (NO) 2002-05-16 WO disclosed