SCHEMBL9878713

SCHEMBL9878713

C=CCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCCCCCC)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
THRB P10828 5/20 0.54
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RARB P10826 7/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL9878376 1.00 MAPT (0.54) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878395 1.00 MAPT (0.54) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878869 0.99 MAPT (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878365 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878004 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9879296 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878015 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9879253 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878487 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878280 0.97 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA

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-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed