SCHEMBL25867870

SCHEMBL25867870

C=CCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCC=C)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 1/20 0.63
NPC1 O15118 3/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL24839330 1.00 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL8572744 0.98 L3MBTL1 (0.65) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL25867841 0.98 L3MBTL1 (0.65) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL8913028 0.95 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL9879026 0.94 LMNA (0.64) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL9878762 0.94 LMNA (0.64) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL302612 0.94 ALDH1A1 (0.74) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL302922 0.94 ALDH1A1 (0.74) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL9877910 0.94 LMNA (0.64) L3MBTL1ALDH1A1NPC1LMNANFKB1
SCHEMBL9879322 0.94 LMNA (0.64) L3MBTL1ALDH1A1NPC1LMNANFKB1

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