SCHEMBL4335115

SCHEMBL4335115

CCCCC=CCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCC(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
FAAH O00519 2/20 0.34
EPHX2 P34913 2/20 0.34
BID P55957 3/20 0.33
BCL2L1 Q07817 3/20 0.33
MCL1 Q07820 3/20 0.33
BAK1 Q16611 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PTGS2 P35354 1/20 0.33
CYSLTR2 Q9NS75 2/20 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
SCHEMBL4341943 0.97 SOAT2 (0.38) SOAT2SOAT1PPARGPPARAFAAH
SCHEMBL4341891 0.95 EPHX2 (0.39) SOAT2SOAT1CYP3A4TSHRPPARG
SCHEMBL4341910 0.92 EPHX2 (0.35) SOAT2SOAT1CYP3A4TSHRPPARG
SCHEMBL4333096 0.92 EPHX2 (0.35) SOAT2SOAT1CYP3A4TSHRPPARG
SCHEMBL4337716 0.92 EPHX2 (0.35) SOAT2SOAT1CYP3A4TSHRPPARG
SCHEMBL4344025 0.87 EPHX2 (0.35) SOAT2SOAT1CYP3A4TSHRPPARG
SCHEMBL702655 0.80 PRSS1 (0.33)
SCHEMBL15643948 0.80 PTGS2 (0.30) PTGS2
SCHEMBL706845 0.77 KCNH2 (0.33) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL2481870 0.76 CYSLTR2 (0.32) CYP3A4CYSLTR2CYSLTR1TP53MAPT

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-2009133686-A1 MEDICAMENTS FOR TREATING ALZHEIMER'S DISEASE 有限会社アンティアンティ (JP) 2009-11-05 WO disclosed