SCHEMBL25867852

SCHEMBL25867852

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
NPC1 O15118 3/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
GAA P10253 1/20 0.56
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL9629288 0.94 TP53 (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL5485389 0.92 NPC1 (0.72) LMNANPC1NFKB1NFKB2RELA
SCHEMBL303454 0.91 LMNA (0.52) LMNANPC1NFKB1NFKB2RELA
SCHEMBL304357 0.90 KMT2A (0.51) LMNANPC1NFKB1NFKB2RELA
SCHEMBL10698856 0.90 RARB (0.63) LMNANPC1NFKB1NFKB2RELA
SCHEMBL8009962 0.87 NPC1 (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL3224272 0.86 HTT (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL303669 0.86 ESR1 (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL18175994 0.86 LMNA (0.60) LMNANPC1NFKB1NFKB2RELA
SCHEMBL1531829 0.86 LMNA (0.60) 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-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