SCHEMBL9529914

SCHEMBL9529914

CC(C)(C)[Si](OCCCCCc1ccccc1CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
SMYD2 Q9NRG4 2/20 0.33
CYP3A4 P08684 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL9525137 0.92 ELANE (0.34) CYP4F2CYP4A11SMYD2CYP3A4HTT
SCHEMBL9526110 0.85 BID (0.31) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL9525868 0.83 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL18257718 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA
SCHEMBL4823593 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA
SCHEMBL25357815 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA
SCHEMBL31528885 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA
SCHEMBL1765926 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA
SCHEMBL4823073 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA
SCHEMBL4339424 0.83 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419610-B1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed
EP-0419610-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS. SCHERING AG (DE) 1991-04-03 EP disclosed
WO-1990011271-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-10-04 WO disclosed