SCHEMBL8776331

SCHEMBL8776331

CSC1(SC)CCOc2ccc(C(O)c3ccc(C=C(C)C(=O)O)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.42
RARG P13631 10/20 0.42
RARA P10276 9/20 0.42
RXRA P19793 2/20 0.36
AKR1C3 P42330 1/20 0.35
TBXAS1 P24557 2/20 0.34
TRPV1 Q8NER1 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
USP9X Q93008 1/20 0.32
AKR1B1 P15121 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8458478 0.83 RXRA (0.54) RARBRARGRARARXRAPTGS1
SCHEMBL10356206 0.74 RXRA (0.64) RARBRARGRARARXRACYP1A2
SCHEMBL7141574 0.74 RARB (0.74) RARBRARGRARARXRACYP1A2
SCHEMBL7714819 0.73 RARA (0.39) RARBRARGRARAAKR1B1
SCHEMBL8523001 0.72 RARB (0.55) RARBRARGRARARXRACYP1A2
SCHEMBL9053853 0.71 ALDH1A1 (0.42) RARBRARGRARAAKR1B1
SCHEMBL4421853 0.70 KDM4E (0.50) RARBRARGRARARXRAAKR1B1
SCHEMBL8101913 0.70 RARB (0.53) RARBRARGRARARXRAAKR1B1
SCHEMBL6143646 0.69 P4HTM (0.39) PTGS1PTGS2AKR1B1
SCHEMBL8776329 0.69 RARA (0.57) RARBRARGRARARXRAAKR1C3

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-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed