SCHEMBL9148652

SCHEMBL9148652

CCCC1COC(c2ccc(OC(=O)c3ccc(CCCC[Si](C)(C)C[Si](C)(C)C)cc3)cc2)OC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 5/20 0.38
THRA P10827 2/20 0.38
BCHE P06276 1/20 0.35
PPARA Q07869 3/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 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
SCHEMBL11266718 0.89 THRB (0.48) MAPTSMN1; SMN2THRBTHRABCHE
SCHEMBL11261251 0.88 THRB (0.50) MAPTSMN1; SMN2THRBTHRABCHE
SCHEMBL11265379 0.83 THRB (0.44) MAPTSMN1; SMN2THRBTHRABCHE
SCHEMBL11469321 0.83 THRB (0.44) MAPTSMN1; SMN2THRBTHRABCHE
SCHEMBL11459835 0.82 THRB (0.47) MAPTSMN1; SMN2THRBTHRABCHE
SCHEMBL9148006 0.81 SPHK1 (0.41) MAPTSMN1; SMN2THRBTHRALMNA
SCHEMBL9144799 0.80 SPHK1 (0.42) MAPTSMN1; SMN2THRBTHRACYP2C9
SCHEMBL9145915 0.78 MAPT (0.40) MAPTSMN1; SMN2THRBTHRATP53
SCHEMBL9144866 0.76 SMN1; SMN2 (0.46) MAPTSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL9145092 0.76 KMT2A (0.44) MAPTSMN1; SMN2PPARAPPARGNPC1

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
US-5399290-A Liquid crystals with (polysila) alkyl wing groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1995-03-21 US disclosed