SCHEMBL29950796

SCHEMBL29950796

Cc1cc(B(O)O)cnc1OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AAK1 Q2M2I8 7/20 0.33
SCN9A Q15858 5/20 0.33
SCN5A Q14524 4/20 0.33
SCN4A P35499 3/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNK3 O14649 1/20 0.31

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
SCHEMBL366465 0.83 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL29957240 0.83 SCN9A (0.44) SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL16734396 0.81 SLC13A5 (0.33) MEN1POLBKMT2AALDH1A1MAPT
SCHEMBL18151379 0.80 LRRK2 (0.30)
SCHEMBL29956843 0.79 PTGS1 (0.32) KDM4EALDH1A1
SCHEMBL29955940 0.78 ENPP2 (0.36) POLBHTTMAPT
SCHEMBL3635036 0.78 ENPP2 (0.36) POLBHTTMAPT
SCHEMBL17248008 0.78 NOS3 (0.41) LMNAMEN1POLBHTTKMT2A
SCHEMBL29955190 0.77 CA1 (0.35) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17432904 0.72 MEN1 (0.36) LMNAMEN1POLBHTTKMT2A

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