SCHEMBL21727769

SCHEMBL21727769

CCC(C)(C)CC(C)(C)NC(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
S1PR2 O95136 1/20 0.30
LMNA P02545 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9965444 0.89 EPHX1 (0.41) EPHX1ALDH1A1GAAPOLBNPC1
SCHEMBL16173925 0.83 EPHX1 (0.47) EPHX1ALDH1A1GAAPOLBNPC1
SCHEMBL17975428 0.82 EPHX1 (0.52) EPHX1ALDH1A1POLBHTTHPGD
SCHEMBL20384036 0.82 EPHX1 (0.39) EPHX1POLBHTTSMN1; SMN2
SCHEMBL14031260 0.80 EPHX1 (0.52) EPHX1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23760256 0.80 EPHX1 (0.36) EPHX1
SCHEMBL20384022 0.80 EPHX1 (0.34) EPHX1SMN1; SMN2
SCHEMBL16712825 0.78 PKM (0.34) EPHX1ALDH1A1POLBHTTHPGD
SCHEMBL172037 0.78 EPHX1 (0.38) EPHX1POLB
SCHEMBL11416809 0.77 EPHX1 (0.32) EPHX1ALDH1A1POLBHPGD

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
EP-3610884-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2020-02-19 EP disclosed