SCHEMBL23944946

SCHEMBL23944946

C=C(CCC(C)C)NCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19871863 0.86 CA1 (0.33) CA1CNR1
SCHEMBL20118026 0.86 CNR1 (0.38) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL23136637 0.85 CA1 (0.32) CA1
SCHEMBL24673496 0.85 LMNA (0.36) CA1LMNA
SCHEMBL24468883 0.83 KDM4C (0.35) CA1LMNA
SCHEMBL19303231 0.83 EPHX1 (0.38) CYP2C19CNR1HTT
SCHEMBL22861695 0.83 KDM4C (0.35) CA1LMNA
SCHEMBL24764060 0.83 KDM4C (0.35) CA1LMNA
SCHEMBL22509589 0.82
SCHEMBL19700949 0.81 KDM4C (0.34) CA1LMNA

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-4166136-A1 INHALABLE PROTEASE INHIBITORS FOR USE IN THE PREVENTION AND/OR TREATMENT OF FIBROTIC AUTOIMMUNE OR INFLAMMATORY LUNG DISEASES Albert-Ludwigs-Universität Freiburg (DE) 2023-04-19 EP disclosed
WO-2021209620-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN THE PREVENTION AND/OR TREATMENT OF CORONAVIRUS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-10-21 WO disclosed