SCHEMBL8574166

SCHEMBL8574166

O=C(Oc1ccc(OC(=O)c2ccc(OCCCCCCCCC3CO3)cc2)cc1)c1ccc(OCCCCCCCCC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
NPC1 O15118 3/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 1/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.42

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
SCHEMBL17431010 0.99 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL8569019 0.99 LMNA (0.50) LMNANPC1NFKB1NFKB2RELA
SCHEMBL17431006 0.97 LMNA (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL17431005 0.96 LMNA (0.48) LMNANPC1NFKB1NFKB2RELA
SCHEMBL31556193 0.95 NPC1 (0.47) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13703919 0.94 PRSS1 (0.48) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9448805 0.94 LMNA (0.62) LMNANPC1NFKB1NFKB2RELA
SCHEMBL17307957 0.94 LMNA (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13882228 0.93 NPC1 (0.46) LMNANPC1NFKB1NFKB2RELA
SCHEMBL1830299 0.92 LMNA (0.48) 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-5811504-A CURABLE WITH CROSSLINKING AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1998-09-22 US disclosed