SCHEMBL9525868

SCHEMBL9525868

CC(C)(C)[Si](OCCCCCc1ccccc1CCC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL9526923 0.88 SMYD2 (0.32) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9526204 0.88 SMYD2 (0.32) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20500283 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL20500262 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL4824010 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL20500252 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL4821411 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL22664469 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL4333525 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG
SCHEMBL5073223 0.87 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2PPARG

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