SCHEMBL30100540

SCHEMBL30100540

CC1(C(=O)NCCCCCCN(CCCCCC(=O)O)CCCCCC(=O)O)CC(C)(C(=O)NCCCCCCN(CCCCCC(=O)O)CCCCCC(=O)O)CC(C)(C(=O)NCCCCCCN(CCCCCC(=O)O)CCCCCC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.47
PRMT1 Q99873 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
EPHX2 P34913 9/20 0.41
PLA2G2A P14555 1/20 0.41
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29141061 0.88 ADRA1A (0.44) ADRA1APRMT1HPGDSMN1; SMN2LMNA
SCHEMBL30100538 0.85 HPGD (0.47) HPGDSMN1; SMN2LMNANPSR1KDM5A
SCHEMBL30100510 0.82 HPGD (0.44) HPGDSMN1; SMN2LMNANPSR1KDM5A
SCHEMBL30100493 0.75 CNR1 (0.48) EPHX2
SCHEMBL32660066 0.71 TSHR (0.63) LMNAKDM5APHF8KDM4C
SCHEMBL25817168 0.70 HPGD (0.47) HPGDSMN1; SMN2LMNANPSR1EPHX2
SCHEMBL25355918 0.70 SPHK1 (0.43) HPGDSMN1; SMN2LMNANPSR1KDM5A
SCHEMBL8660098 0.69 KDM4C (0.53) LMNAKDM5APHF8KDM4C
Dodecanoate SCHEMBL21827672 0.69 EPHX2 (0.62) KDM5APHF8KDM4CEPHX2PLA2G2A
SCHEMBL25816682 0.68 HPGD (0.44) HPGDSMN1; SMN2LMNANPSR1MAPK1

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-4373804-A1 CYCLOHEXANE LIPIDOIDS FOR NUCLEIC ACID TRANSFECTION AND USE THEREOF Ustav Organicke Chemie a Biochemie AV CR v.v.i. (CZ) 2024-05-29 EP disclosed
WO-2023001323-A1 CYCLOHEXANE LIPIDOIDS FOR NUCLEIC ACID TRANSFECTION AND USE THEREOF Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2023-01-26 WO disclosed