SCHEMBL27329014

SCHEMBL27329014

CCCCCCCCC(=O)OCCOC(=O)CCN(CCCNC(=O)c1cc(C(=O)NCCCN(CCC(=O)OCCOC(=O)CCCCCCC)CCC(=O)OCCOC(=O)CCCCCCC)cc(C(=O)NCCCN(CCC(=O)OCCOC(=O)CCCCCCC)CCC(=O)OCCOC(=O)CCCCCCC)c1)CCC(=O)OCCOC(=O)CCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.50
▸ DNM1 Q05193 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EPHX2 P34913 2/20 0.45
▸ THRA P10827 3/20 0.44
▸ THRB P10828 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NAAA Q02083 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 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
SCHEMBL20198772 0.94 THRA (0.48) DNM1MAPTEPHX2THRATHRB
SCHEMBL22767923 0.93 DNM1 (0.47) DGKADNM1MAPTEPHX2THRA
SCHEMBL31245951 0.89 DNM1 (0.52) DGKADNM1MAPTEPHX2THRA
SCHEMBL31245954 0.89 DNM1 (0.52) DGKADNM1MAPTEPHX2THRA
SCHEMBL31245863 0.88 DNM1 (0.51) DGKADNM1MAPTEPHX2THRA
SCHEMBL22391191 0.83 SMN1; SMN2 (0.57) THRATHRBSMN1; SMN2NAAAL3MBTL1
SCHEMBL22767782 0.82 EPHX2 (0.47) MAPTEPHX2ALDH1A1HPGD
SCHEMBL22767943 0.82 EPHX2 (0.47) MAPTEPHX2ALDH1A1HPGD
SCHEMBL22767933 0.82 FAAH (0.45) MAPTEPHX2THRATHRBSMN1; SMN2
SCHEMBL31245975 0.81 THRA (0.42) DNM1MAPTEPHX2THRATHRB

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
WO-2024119098-A1 LIPID NANOPARTICLE (LNP) DELIVERY SYSTEMS AND FORMULATIONS PRIME MEDICINE, INC. (US) 2024-06-06 — — WO disclosed
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