SCHEMBL9701319

SCHEMBL9701319

CC(C)(C)[Si](OCc1ccc2cc(CO)ccc2c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYSLTR1 Q9Y271 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
LTA4H P09960 1/20 0.36
F2 P00734 2/20 0.35
KDR P35968 1/20 0.34
CASR P41180 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8024443 0.89 MRGPRX4 (0.38) CYSLTR1GPBAR1KDR
SCHEMBL2745018 0.87 PPARG (0.41) PPARGPPARACYSLTR1LTA4H
SCHEMBL31124766 0.85 TSHR (0.35) TTRPPARGPPARAGPBAR1LTA4H
SCHEMBL7985831 0.83 VDR (0.35) PPARGPPARA
SCHEMBL1587700 0.81 KDR (0.33) TTRPPARGPPARALTA4HKDR
SCHEMBL5672882 0.80 SMN1; SMN2 (0.35) TTRPPARGPPARA
SCHEMBL16818604 0.80 TACR1 (0.34) PPARGPPARA
SCHEMBL9347235 0.79 ESR1 (0.43) PPARGCYP1A2
SCHEMBL5106543 0.79 CYP4F2 (0.42) PPARGGPBAR1LTA4HKDRCYP1A2
SCHEMBL30718622 0.79 TEC (0.39) CASRACSS2

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
WO-1992005153-A1 ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1992-04-02 WO disclosed