SCHEMBL29954864

SCHEMBL29954864

OB(O)c1ccc(CSC2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
LPL P06858 6/20 0.39
LIPG Q9Y5X9 6/20 0.39
F11 P03951 1/20 0.38
PARP14 Q460N5 9/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL29955567 0.85 KMT2A (0.57) KMT2ALPLLIPGF11CA1
SCHEMBL29950900 0.82 ENPP2 (0.46) LPLLIPGPARP14MGLL
SCHEMBL29956088 0.77 PARP14 (0.38) PARP14
SCHEMBL29952913 0.77 PARP14 (0.40) KMT2APARP14
SCHEMBL29956516 0.75 HRH3 (0.35) KMT2APARP14CA1CA2
SCHEMBL29955087 0.75 PARP14 (0.41) KMT2APARP14
SCHEMBL29953460 0.74 QRFPR (0.44) PARP14
SCHEMBL29955207 0.73 KMT2A (0.41) KMT2ALPLLIPGF11CA1
SCHEMBL29951427 0.72 LIPG (0.38) LIPGPARP14
SCHEMBL29951908 0.71 LPL (0.39) LPLLIPGF11CA1CA2

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