SCHEMBL29956822

SCHEMBL29956822

O=CCCN1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL947690 1.00 HRH3 (0.48) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL5807819 1.00 HRH3 (0.48) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL678885 0.97
Hydrochloric Acid SCHEMBL5552777 0.95 HRH3 (0.42) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL3244591 0.92
SCHEMBL5362273 0.86
SCHEMBL750128 0.85 HRH3 (0.56) HRH3MAPTALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL27381398 0.83 HRH3 (0.54) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL7381954 0.83 HRH3 (0.61) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL678406 0.82 HRH3 (0.52) HRH3MAPTALDH1A1POLBL3MBTL1

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