SCHEMBL31245895

SCHEMBL31245895

CC(C)(C)OC(=O)NCCCNC(=O)c1cc(OCCCNC(=O)OC(C)(C)C)cc(OCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PDK2 Q15119 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL16450757 0.90 CA12 (0.64) CA12CA1CA2CA9TDP1
SCHEMBL12020017 0.88 CA12 (0.48) CA12CA1CA2CA9NPC1
SCHEMBL31245937 0.88 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL22767691 0.87 TDP1 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL31245861 0.86 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL20758732 0.84 NPC1 (0.48) CA12CA1CA2CA9NPC1
SCHEMBL16421560 0.83 CA1 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL15805865 0.83 CA12 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL15705529 0.83 CA12 (0.55) CA12CA1CA2CA9NPC1
SCHEMBL15036888 0.83 CA12 (0.57) CA12CA1CA2CA9TDP1

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
EP-4687854-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY Flagship Labs 114, Inc. (US) 2026-02-11 EP disclosed
WO-2024211865-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY OMEGA THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed