SCHEMBL25008049

SCHEMBL25008049

CC(=O)c1c[nH]c(C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.38
DAO P14920 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
CCNA2 P20248 1/20 0.34

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
SCHEMBL20077990 0.78 CA12 (0.42) RAB9AALDH1A1NPC1ALOX15LMNA
SCHEMBL24696941 0.68 DAO (0.38) L3MBTL1DAOHCAR2KMT2ALMNA
SCHEMBL9217296 0.68
SCHEMBL27483961 0.66 SMYD3 (0.51) SMYD3L3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL469036 0.66 HDAC8 (0.61) L3MBTL1RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL24696858 0.66 DAO (0.42) RAB9ADAOHCAR2
SCHEMBL29191074 0.65 L3MBTL1 (0.66) SMYD3L3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL9918794 0.65
SCHEMBL28311573 0.65
SCHEMBL13437108 0.65

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-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed