SCHEMBL8154607

SCHEMBL8154607

CCCC(=CC=CC(C)=C(CC)C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.43
RXRG P48443 10/20 0.43
RXRB P28702 9/20 0.43
RARG P13631 6/20 0.43
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 8/20 0.35

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
SCHEMBL8145948 0.85 RXRA (0.60) RXRARXRGRXRBRARGRARA
SCHEMBL8146556 0.81 RXRA (0.68) RXRARXRGRXRBRARGRARA
SCHEMBL8159678 0.81 RXRA (0.68) RXRARXRGRXRBRARGRARA
SCHEMBL8153962 0.81 RXRA (0.68) RXRARXRGRXRBRARGRARA
SCHEMBL8851049 0.81 RXRA (0.68) RXRARXRGRXRBRARGRARA
SCHEMBL8850282 0.81 RXRA (0.68) RXRARXRGRXRBRARGRARA
SCHEMBL8154604 0.74 RXRA (0.50) RXRARXRGRXRBRARGRARA
SCHEMBL8159338 0.73 TP53 (0.37) RXRARXRGRXRBRARGRARA
SCHEMBL8159340 0.73 TP53 (0.37) RXRARXRGRXRBRARGRARA
SCHEMBL8153500 0.73 RXRA (0.71) RXRARXRGRXRBRARGRARA

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-0800503-B1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2000-05-10 EP claimed