Acitretin

Acitretin

SCHEMBL5053805

COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C.COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

RARARARBRARGRXRARXRBRXRG

The experimentally established mechanism targets of Acitretin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA known ✓ P19793 12/20 0.45
RARG known ✓ P13631 9/20 0.45
RARA known ✓ P10276 6/20 0.45
RARB known ✓ P10826 6/20 0.45
RXRB known ✓ P28702 4/20 0.45
RXRG known ✓ P48443 4/20 0.45
ALDH1A1 P00352 8/20 1.00
MAPT P10636 7/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ABCB11 O95342 2/20 1.00
ABCC4 O15439 1/20 1.00
NR1I2 O75469 1/20 1.00
PTGS1 P23219 4/20 0.72
ADORA3 P0DMS8 3/20 0.72
PGR P06401 2/20 0.72
CHRM1 P11229 2/20 0.72
SLC6A2 P23975 2/20 0.72
ESR1 P03372 1/20 0.72
SLC6A4 P31645 1/20 0.72
OPRM1 P35372 1/20 0.72

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
Acitretin SCHEMBL159360 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL29883491 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL5028866 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL29496318 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL3759 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL2280089 1.00 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL10750446 0.99 ALDH1A1 (0.98) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL4443721 0.99 ALDH1A1 (0.98) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
Acitretin SCHEMBL9856594 0.94 ALDH1A1 (0.89) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4
SCHEMBL10750080 0.94 ALDH1A1 (0.89) ALDH1A1MAPTSMN1; SMN2ABCB11ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548005-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS Puretech Health LLC (US) 2019-10-09 EP disclosed
WO-2018102397-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PureTech Health LLC (US) 2018-06-07 WO disclosed
WO-2012151309-A1 METHODS FOR REGULATING INDUCED PLURIPOTENT STEM CELL GENERATION AND COMPOSITIONS THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-11-08 WO disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO disclosed