SCHEMBL29246794

SCHEMBL29246794

N#CCC(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
LMNA P02545 2/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
TSHR P16473 1/20 0.41
ACP3 P15309 2/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL1546683 0.88 TSHR (0.52) LMNATSHRKDM4EL3MBTL1PBRM1
SCHEMBL1546681 0.88 TSHR (0.52) LMNATSHRKDM4EL3MBTL1PBRM1
SCHEMBL2349389 0.88 TSHR (0.52) LMNATSHRKDM4EL3MBTL1PBRM1
SCHEMBL8902506 0.84 CTSK (0.48) CTSSCTSKLMNATSHRCTSL
SCHEMBL10322371 0.77 CTSS (0.48) CTSSCTSKCHRNB2CHRNA4PTGS2
SCHEMBL6603545 0.77 CHRNB2 (0.47) CTSSCTSKCHRNB2CHRNA4ACP3
SCHEMBL23237367 0.76 AOC3 (0.47) LMNAKDM4E
SCHEMBL23237307 0.76 ESR1 (0.42) LMNAKDM4E
SCHEMBL4977780 0.76 ESR1 (0.42) LMNAKDM4E
SCHEMBL24681202 0.76 ESR1 (0.38) LMNATSHRKDM4EPBRM1

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
CN-118084725-A 1-Cyano 2-hydroxy compound and preparation method thereof 南京工业大学 2024-05-28 CN disclosed