SCHEMBL24333339

SCHEMBL24333339

C=C1C=C(OCc2ccc(F)cc2)[C@H](CC(C)C)N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.37
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
HTR1A P08908 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL20734815 0.84 MAOB (0.36) MAOBAPPMEN1KMT2A
SCHEMBL20734816 0.84 MAOB (0.36) MAOBAPPMEN1KMT2A
SCHEMBL24333202 0.68 ALDH1A1 (0.39) MAOBMEN1KMT2AALDH1A1
SCHEMBL20735040 0.67 SMN1; SMN2 (0.37) MAOBKMT2ASLC6A3ALDH1A1
SCHEMBL20734938 0.67 SMN1; SMN2 (0.37) MAOBKMT2ASLC6A3ALDH1A1
SCHEMBL21973638 0.67 P2RX7 (0.46) MAOBIDO1AGXT
SCHEMBL21973405 0.67 CYP1A2 (0.44) MEN1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21929344 0.66 MAOB (0.40) MAOBHTR1AAGXTALDH1A1MPO
SCHEMBL20734860 0.66 FFAR1 (0.44) MAOBAPPKMT2AFFAR1ALDH1A1
SCHEMBL20734861 0.66 FFAR1 (0.44) MAOBAPPKMT2AFFAR1ALDH1A1

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-3647306-B1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR BEIJING JOEKAI BIOTECH LLC (CN) 2022-04-06 EP disclosed