SCHEMBL25867849

SCHEMBL25867849

O=C(Oc1ccc(OC(=O)c2ccc(OCCCCCCS)cc2)cc1)c1ccc(OCCCCCCS)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
NPC1 O15118 3/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
GAA P10253 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL304012 0.91 HDAC3 (0.53) LMNANPC1NFKB1NFKB2RELA
SCHEMBL303052 0.85 LMNA (0.62) LMNANPC1NFKB1NFKB2RELA
SCHEMBL26418649 0.85 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL25867852 0.85 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9060627 0.85 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL1531829 0.85 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL26418651 0.85 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL18175994 0.85 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL29797124 0.84 NPC1 (0.47) LMNANPC1NFKB1NFKB2RELA
SCHEMBL22341180 0.83 NPC1 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708458-B2 Composition for thiol-ene-based polymerization and liquid crystalline network-containing objects formed therefrom using additive manufacturing UT-BATTELLE, LLC (US) 2023-07-25 US disclosed
US-11708458-B2 Composition for thiol-ene-based polymerization and liquid crystalline network-containing objects formed therefrom using additive manufacturing UT-BATTELLE, LLC (US) 2023-07-25 US disclosed