SCHEMBL8940353

SCHEMBL8940353

C=CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC[C@@H](C)CC)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
NPC1 O15118 3/20 0.50
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
PLA2G4B P0C869 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL9878889 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9879275 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9878729 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9878424 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9878856 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9878284 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9878306 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL8940358 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9878541 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9879268 1.00 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA

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-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 US disclosed