SCHEMBL29953074

SCHEMBL29953074

OB(O)c1ccccc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 2/20 0.48
AKR1C3 P42330 3/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NCF1 P14598 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL19533 1.00 HSD17B10 (0.49) HSD17B10ALOX15LMNAAKR1C3POLB
SCHEMBL29953330 0.82 KEAP1 (0.55) POLBMAPTL3MBTL1MEN1KMT2A
SCHEMBL3195999 0.82 KEAP1 (0.55) POLBMAPTL3MBTL1MEN1KMT2A
Boric Acid SCHEMBL6314068 0.81 AKR1C3 (0.65) HSD17B10ALOX15LMNAAKR1C3POLB
SCHEMBL9424119 0.81 LMNA (0.62) HSD17B10ALOX15LMNAAKR1C3POLB
SCHEMBL16568999 0.80 KEAP1 (0.59) POLBMAPTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL29952686 0.80 KEAP1 (0.53) POLBMAPTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL29953158 0.78 KEAP1 (0.57) LMNAPOLBMAPTL3MBTL1MEN1
SCHEMBL4008990 0.78 ADRA2C (0.63) HSD17B10LMNAPOLBMAPTL3MBTL1
SCHEMBL2454191 0.77 POLB (0.39) HSD17B10ALOX15LMNAAKR1C3POLB

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
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed