SCHEMBL24854681

SCHEMBL24854681

C=CCCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALOX15 P16050 1/20 0.46
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL31267637 0.92 L3MBTL1 (0.57) L3MBTL1MAOBAOC3KDM4EALOX15
SCHEMBL11515031 0.84 L3MBTL1 (0.55) L3MBTL1MAOBAOC3KDM4EALOX15
SCHEMBL31267779 0.84 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1LMNAPOLB
SCHEMBL817396 0.83 MAOB (0.52) L3MBTL1MAOBAOC3KDM4EALDH1A1
SCHEMBL7746486 0.83 L3MBTL1 (0.57) L3MBTL1MAOBAOC3KDM4EALOX15
SCHEMBL22367610 0.82 ALDH1A1 (0.44) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL72484 0.81 L3MBTL1 (0.59) L3MBTL1MAOBAOC3KDM4EALOX15
SCHEMBL31267701 0.81 CHRM5 (0.39) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL7433998 0.80 L3MBTL1 (0.57) L3MBTL1MAOBAOC3KDM4EALOX15
SCHEMBL11338395 0.80 CHRNB2 (0.47) L3MBTL1MAOBAOC3LTA4HALDH1A1

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-4112599-A1 KEY INTERMEDIATE FOR SYNTHESIZING PROSTAGLANDIN COMPOUNDS AND PREPARATION METHOD THEREFOR SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-01-04 EP disclosed