SCHEMBL2944374

SCHEMBL2944374

COCOc1cc2c(cc1-c1cc(-c3ccc(OC(=O)O)cc3)ccc1-c1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
RARG P13631 17/20 0.46
RARB P10826 9/20 0.46
RARA P10276 7/20 0.46
RXRA P19793 3/20 0.41
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL2918656 0.89 EGFR (0.67) EGFRRARGRARBRARARXRA
SCHEMBL7790156 0.89 RARG (0.50) RARGRARBRARARXRARXRB
SCHEMBL7789717 0.87 EGFR (0.48) EGFRRARGRARBRARARXRA
SCHEMBL7784310 0.85 RARG (0.51) EGFRRARGRARBRARARXRA
SCHEMBL5847355 0.85 EGFR (0.53) EGFRRARGRARBRARARXRA
SCHEMBL7793750 0.83 RARB (0.47) EGFRRARGRARBRARARXRA
SCHEMBL7792851 0.83 RARG (0.55) RARGRARBRARARXRA
SCHEMBL2945148 0.83 RARG (0.55) EGFRRARGRARBRARARXRA
SCHEMBL7792840 0.82 RARG (0.59) RARGRARBRARARXRARXRB
SCHEMBL7789714 0.82 RARG (0.49) RARGRARBRARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255543-B1 USE OF RETINOID-TYPE COMPOUNDS AS ANTIBACTERIAL AGENTS AGAINST STAPHYLOCOCCUS AUREUS GALDERMA RES & DEV (FR) 2010-09-01 EP claimed