SCHEMBL29958546

SCHEMBL29958546

OB(O)c1sccc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
NEK2 P51955 1/20 0.33
CAMKK1 Q8N5S9 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
CEL P19835 1/20 0.30

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
SCHEMBL29954560 0.98 LMNA (0.35) LMNANEK2CAMKK1CAMKK2CEL
SCHEMBL29952011 0.96 LMNA (0.33) LMNANEK2
SCHEMBL29956385 0.92 HSD17B10 (0.32) LMNANEK2
SCHEMBL7324741 0.69 LMNA (0.35) LMNANEK2CAMKK1CAMKK2CEL
SCHEMBL4458509 0.69 CEL (0.35) LMNANEK2CAMKK1CAMKK2CEL
SCHEMBL8167370 0.69 LMNA (0.42) LMNANEK2CAMKK1CAMKK2
SCHEMBL4580554 0.68 ALDH1A1 (0.42) LMNACEL
SCHEMBL28849763 0.68 ALDH1A1 (0.42) LMNACEL
SCHEMBL5314614 0.68 ESR2 (0.40) LMNANEK2CAMKK1CAMKK2
SCHEMBL27771263 0.67 ABCC1 (0.42) LMNANEK2CAMKK1CAMKK2

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