SCHEMBL6552458

SCHEMBL6552458

CCC/C(=C/CO)c1ccc2c(c1)C(C(C)(C)C)=CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.33
RARB P10826 5/20 0.33
RARG P13631 5/20 0.33
RXRA P19793 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL7962249 0.90 RARA (0.35) RARARARBRARGRXRANR2E1
SCHEMBL7731139 0.83 RARA (0.35) RARARARBRARGRXRANR2E1
SCHEMBL6552904 0.82 RARA (0.33) RARARARBRARGRXRANR2E1
SCHEMBL6292648 0.74 RARA (0.43) RARARARBRARGRXRANR2E1
SCHEMBL6297202 0.74 RARB (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6595814 0.71 RARA (0.38) RARARARBRARGRXRANR2E1
SCHEMBL7773711 0.71 RARA (0.35) RARARARBRARGRXRANR2E1
SCHEMBL6087866 0.68 PDE4B (0.36) RARARARBRARGRXRANR2E1
SCHEMBL6086714 0.68 PDK2 (0.34) RARARARBRARGRXRANR2E1
SCHEMBL6552888 0.67 RARA (0.34) RARARARBRARGRXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 EP disclosed
EP-1117628-B1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN INC (US) 2003-11-19 EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed