SCHEMBL818010

SCHEMBL818010

C=CC=CCCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 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
SCHEMBL819102 0.98 HRH3 (0.37) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL14448376 0.89 HRH3 (0.34) HRH3L3MBTL1CARM1PRMT6PRMT8
SCHEMBL818963 0.89
SCHEMBL21971969 0.86 MBTD1 (0.32) HRH3L3MBTL1SIGMAR1MBTD1L3MBTL3
SCHEMBL29773386 0.78 HRH3 (0.41) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL9112154 0.78 HRH3 (0.41) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL9112160 0.78 HRH3 (0.41) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL9111427 0.77 HRH3 (0.44) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL9111421 0.77 HRH3 (0.44) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL22972376 0.77 SIGMAR1 (0.38) HRH3MAPTALDH1A1SMN1; SMN2CARM1

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed