SCHEMBL9879296

SCHEMBL9879296

C=CCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCCCC)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
MAPT P10636 4/20 0.53
RARB P10826 7/20 0.53
THRB P10828 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL9878906 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878365 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878867 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879253 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878004 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878015 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879063 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878280 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878487 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879067 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1LMNANFKB1NFKB2

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