SCHEMBL24654071

SCHEMBL24654071

CCCCCNC(=O)C1(C)CCOC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.47
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 6/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
CASP2 P42575 1/20 0.40

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
SCHEMBL2719822 0.87 EPHX1 (0.50) SPHK1EPHX1HPGDSMN1; SMN2LMNA
SCHEMBL3427647 0.83 SPHK1 (0.54) SPHK1EPHX1HPGDSMN1; SMN2LMNA
SCHEMBL29306462 0.81 CYP3A4 (0.37) SPHK1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL24654166 0.81 CYP3A4 (0.37) SPHK1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL20119053 0.79 EPHX1 (0.48) SPHK1EPHX1HPGDSMN1; SMN2LMNA
SCHEMBL29306660 0.78 SPHK1 (0.50) SPHK1EPHX1
SCHEMBL25564851 0.78 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1236882 0.78 HPGD (0.56) SPHK1EPHX1HPGDSMN1; SMN2LMNA
SCHEMBL1236881 0.78 HPGD (0.56) SPHK1EPHX1HPGDSMN1; SMN2LMNA
SCHEMBL1237682 0.78 HPGD (0.56) SPHK1EPHX1HPGDSMN1; SMN2LMNA

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-2022204288-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2022-09-29 WO disclosed