SCHEMBL8460520

SCHEMBL8460520

CC(=CC=CC1=C(C)C2(C)CCCC(C)(C)C2=C1)CC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.30
ALDH1A1 P00352 4/20 0.30
RARA P10276 4/20 0.30
MAPT P10636 4/20 0.30
RARB P10826 4/20 0.30
RARG P13631 4/20 0.30
PTGS1 P23219 3/20 0.30
RXRB P28702 2/20 0.30
RXRG P48443 2/20 0.30
RORC P51449 2/20 0.30
CYP3A4 P08684 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
MAPK1 P28482 2/20 0.30
HTR2B P41595 2/20 0.30
BLM P54132 2/20 0.30
HIF1A Q16665 2/20 0.30
NR4A1 P22736 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8460516 1.00 RXRA (0.30) RXRAALDH1A1RARAMAPTRARB
SCHEMBL8522732 0.67 RBP4 (0.33) RXRAALDH1A1RARAMAPTRARB
SCHEMBL10799157 0.64 ALDH1A1 (0.70) RXRAALDH1A1RARAMAPTRARB
SCHEMBL9096736 0.61 LDHA (0.42) ALDH1A1MAPTPTGS1KDM4EPGR
SCHEMBL6037056 0.61 RXRA (0.34) RXRARARARARBRARGRXRB
SCHEMBL6037052 0.61 RXRA (0.34) RXRARARARARBRARGRXRB
SCHEMBL14465843 0.57 GRIK1 (0.37) KDM4ERECQL
SCHEMBL3160754 0.54 ACHE (0.33) PTGS1
SCHEMBL23509654 0.54 ALOX15 (0.34) ALDH1A1RECQLALOX15HSD17B10
SCHEMBL9095950 0.53 ALDH1A1 (0.57) RXRAALDH1A1RARAMAPTRARB

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