SCHEMBL9526110

SCHEMBL9526110

CC(C)(C)[Si](OCCCCCc1ccccc1CC/C=C/CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.31
BCL2L1 Q07817 3/20 0.31
MCL1 Q07820 3/20 0.31
BAK1 Q16611 3/20 0.31
F7 P08709 3/20 0.31
F3 P13726 3/20 0.31
MMP2 P08253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ECE1 P42892 1/20 0.31
SGMS1 Q86VZ5 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
MUS81 Q96NY9 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31

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
SCHEMBL18244699 0.88 SMYD2 (0.33) CYP3A4HTTSMN1; SMN2SMYD2PPARG
SCHEMBL18244698 0.88 SMYD2 (0.33) CYP3A4HTTSMN1; SMN2SMYD2PPARG
SCHEMBL3705314 0.86 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2PPARG
SCHEMBL9525137 0.85 ELANE (0.34) KDM4ECYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9529914 0.85 CYP4F2 (0.41) KDM4EMAPTHSD17B10CYP3A4HTT
SCHEMBL13778516 0.85 SMYD2 (0.34) MAPTCYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9526961 0.85 PTGER4 (0.31) CYP3A4HTTSMN1; SMN2SMYD2PPARG
SCHEMBL9526204 0.85 SMYD2 (0.32) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9526923 0.85 SMYD2 (0.32) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL9525868 0.84 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2PPARG

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
EP-0419610-B1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed