SCHEMBL29953719

SCHEMBL29953719

OB(O)c1cc(F)ccc1CSC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 15/20 0.45
MAPK1 P28482 1/20 0.36
PDE2A O00408 2/20 0.34
LIPE Q05469 1/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL29951427 0.80 LIPG (0.38) PARP14
SCHEMBL29956088 0.78 PARP14 (0.38) PARP14
SCHEMBL29952913 0.76 PARP14 (0.40) PARP14
SCHEMBL29957668 0.74 MAPK1 (0.40) MAPK1LIPE
SCHEMBL29955087 0.71 PARP14 (0.41) PARP14
SCHEMBL29955289 0.69 CXCR2 (0.39)
SCHEMBL29954864 0.68 KMT2A (0.42) PARP14
SCHEMBL13896500 0.68 SLC6A4 (0.41)
SCHEMBL2562247 0.68 KDM4E (0.49)
SCHEMBL13722614 0.68 HTR2A (0.45) MAPK1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed