SCHEMBL29951850

SCHEMBL29951850

CCCN1CCN(Cc2ccc(B(O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.50
LIPG Q9Y5X9 6/20 0.50
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
MGLL Q99685 1/20 0.45
MC4R P32245 1/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHKA P35790 1/20 0.42

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
SCHEMBL27934011 0.86 ALDH1A1 (0.62) LPLLIPGALDH1A1CA1CA2
SCHEMBL2320439 0.86 LMNA (0.61) LPLLIPGALDH1A1CA2NPC1
SCHEMBL21550770 0.85 PKM (0.54) LPLLIPGALDH1A1SIGMAR1NPC1
Hydrochloric Acid SCHEMBL21747953 0.85 LMNA (0.59) LPLLIPGALDH1A1CA2NPC1
SCHEMBL29955859 0.81 LPL (0.51) LPLLIPGALDH1A1SIGMAR1LMNA
SCHEMBL16121611 0.81 CHKA (0.69) CA2LMNAMC4RCHKAHRH3
SCHEMBL2557827 0.80 HRH3 (0.65) ALDH1A1MBTD1L3MBTL3L3MBTL1POLB
SCHEMBL2558087 0.80 DRD2 (0.62) SIGMAR1GAA
SCHEMBL28440571 0.80 LMNA (0.53) ALDH1A1CA2NPC1TP53RAB9A
SCHEMBL1427526 0.79 HRH3 (0.69) ALDH1A1MEN1KMT2AMBTD1L3MBTL3

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