SCHEMBL8985108

SCHEMBL8985108

CC[Si](CC)(CC)c1cc(C(OC(=O)CCCCCCCCCCC(=O)O)c2coc([Si](CC)(CC)CC)c2)co1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 5/20 0.32
MAPK1 P28482 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GMNN O75496 1/20 0.32
HSP90AA1 P07900 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 3/20 0.32
PPARG P37231 6/20 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
SCHEMBL8985104 0.95 LMNA (0.36) LMNAMAPK1MAPTALDH1A1
SCHEMBL9160196 0.70 FAAH (0.35) PPARAMAPTALDH1A1PPARG
SCHEMBL27716236 0.70 HDAC3 (0.49) PPARALMNATSHRMAPK1TDP1
SCHEMBL27333858 0.70 HDAC3 (0.49) PPARALMNATSHRMAPK1TDP1
SCHEMBL28833591 0.68 CRHBP (0.49) PPARALMNAMAPK1MAPTNPSR1
SCHEMBL27702248 0.67 CRHBP (0.48) PPARALMNAMAPK1MAPTNPSR1
SCHEMBL8985117 0.67 LCK (0.38) MAPTPPARDGPR84FFAR1FFAR4
SCHEMBL4214175 0.65 LMNA (0.54) LMNAMAPK1MAPTMEN1KMT2A
SCHEMBL4210359 0.65 LMNA (0.54) LMNAMAPK1MAPTMEN1KMT2A
SCHEMBL966479 0.65 LMNA (0.54) LMNAMAPK1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541221-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN (US) 1996-07-30 US disclosed
EP-0637240-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES FOR INHIBITING BONE LOSS ALLERGAN, INC. (US) 1995-02-08 EP disclosed
US-5387606-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN, INC. (US) 1995-02-07 US disclosed
US-5268387-A Containing ester or carbamate group ALLERGAN, INC. (US) 1993-12-07 US disclosed
WO-1993021915-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING BONE LOSS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES ALLERGAN, INC. (US) 1993-11-11 WO disclosed
US-5171864-A Immunosuppressant, anti-proliferative activity ALLERGAN, INC. (US) 1992-12-15 US disclosed