SCHEMBL8522732

SCHEMBL8522732

CC(=CC=CC1=CC2=C(CCCC2(C)C)C1(C)C)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.33
RXRA P19793 6/20 0.32
RARB P10826 6/20 0.32
RARG P13631 6/20 0.32
RARA P10276 5/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 5/20 0.32
PTGS1 P23219 3/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
RORC P51449 2/20 0.32
CYP3A4 P08684 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
MAPK1 P28482 2/20 0.32
HTR2B P41595 2/20 0.32
BLM P54132 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 2/20 0.32
NR4A1 P22736 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL8522730 1.00 RBP4 (0.33) RBP4RXRARARBRARGRARA
SCHEMBL8460516 0.67 RXRA (0.30) RXRARARBRARGRARAALDH1A1
SCHEMBL8460520 0.67 RXRA (0.30) RXRARARBRARGRARAALDH1A1
SCHEMBL10799157 0.66 ALDH1A1 (0.70) RBP4RXRARARBRARGRARA
SCHEMBL6037056 0.63 RXRA (0.34) RXRARARBRARGRARARXRB
SCHEMBL6037052 0.63 RXRA (0.34) RXRARARBRARGRARARXRB
SCHEMBL9096736 0.61 LDHA (0.42) ALDH1A1MAPTPTGS1KDM4EPGR
SCHEMBL20165832 0.58 ALDH1A1 (0.37) RBP4RXRARARBRARGRARA
SCHEMBL14465843 0.57 GRIK1 (0.37) KDM4ERECQL
SCHEMBL23052821 0.56 ALDH1A1 (0.61) RBP4RXRARARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
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