SCHEMBL8154649

SCHEMBL8154649

COc1ccc2c(c1)C(CCO)=C(C)C2=Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.44
PPARG P37231 3/20 0.43
LCK P06239 2/20 0.40
PTGS1 P23219 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM2 Q00987 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
MAOB P27338 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL8154646 1.00 RXRA (0.44) RXRAPPARGLCKPTGS1MEN1
SCHEMBL8155194 0.88 PPARG (0.52) RXRAPPARGMEN1KMT2AMAPT
SCHEMBL8155195 0.88 PPARG (0.52) RXRAPPARGMEN1KMT2AMAPT
SCHEMBL8148098 0.86 CYP1A2 (0.51) RXRAPPARGLCKPTGS1MEN1
SCHEMBL8148095 0.86 CYP1A2 (0.51) RXRAPPARGLCKPTGS1MEN1
SCHEMBL8430723 0.86 RXRA (0.43) RXRAPPARGLCKMEN1KMT2A
SCHEMBL8154670 0.84 CYP1A2 (0.53) RXRAPPARGLCKPTGS1MAPT
SCHEMBL8154671 0.84 CYP1A2 (0.53) RXRAPPARGLCKPTGS1MAPT
SCHEMBL8154789 0.83 RXRA (0.64) RXRAPPARGPTGS1MEN1KMT2A
SCHEMBL8154792 0.83 RXRA (0.64) RXRAPPARGPTGS1MEN1KMT2A

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
US-6028116-A Substituted condensation products of 1H-indenyl-hydroxyalkanes with aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-02-22 US disclosed