SCHEMBL9878702

SCHEMBL9878702

C=CCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCCCC)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
THRB P10828 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RARB P10826 8/20 0.51
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRA P10827 1/20 0.47

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
SCHEMBL9879063 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878867 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878280 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878004 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878015 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878365 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9879296 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9879253 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878487 0.99 SMN1; SMN2 (0.55) MAPTSMN1; SMN2THRBNPC1LMNA
SCHEMBL9878906 0.99 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