SCHEMBL9877643

SCHEMBL9877643

C=CCCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CC(C)CC)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 3/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RARB P10826 4/20 0.43
KMT2A Q03164 2/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9878523 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9877642 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879324 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878652 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878177 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878516 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878647 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878171 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9879327 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL9878260 0.99 ALDH1A1 (0.45) 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