SCHEMBL28689462

SCHEMBL28689462

CCCCCCCC(=O)N1CCCCC1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GNAI3 P08754 2/20 0.49
GNAO1 P09471 2/20 0.49
GNAI1 P63096 2/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3364352 1.00 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL3745326 1.00 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL28808835 1.00 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL30110380 0.95 L3MBTL1 (0.51) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL29191664 0.93 KMT2A (0.51) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL3744818 0.88 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ATDP1TP53
SCHEMBL11892712 0.86 HPGD (0.51) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL13412867 0.86 HPGD (0.51) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL13811053 0.84 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL3735195 0.83 HAO1 (0.46) L3MBTL1MEN1KMT2ATDP1GNAI3

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
CN-113649055-B Catalyst for selective hydrogenation of methyl picolinate and preparation method and application thereof 湖北大学 2023-03-24 CN disclosed
CN-113649055-A Catalyst for selective hydrogenation of methyl picolinate and preparation method and application thereof 湖北大学 2021-11-16 CN disclosed