SCHEMBL818931

SCHEMBL818931

C=CC(=C)CCN1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.38
GFER P55789 1/20 0.37
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL609176 1.00 ALDH1A1 (0.48) ALDH1A1MAPTPOLBL3MBTL1HRH3
SCHEMBL609260 0.98 ALDH1A1 (0.45) ALDH1A1MAPTPOLBL3MBTL1HRH3
SCHEMBL31093153 0.89 TSHR (0.38) ALDH1A1MAPTPOLBL3MBTL1SMN1; SMN2
SCHEMBL609297 0.89
SCHEMBL31093181 0.84 ALDH1A1 (0.50) ALDH1A1MAPTPOLBL3MBTL1HRH3
SCHEMBL31093025 0.83 TSHR (0.34) ALDH1A1MAPTPOLBTSHR
SCHEMBL31092991 0.82 ALDH1A1 (0.46) ALDH1A1MAPTPOLBL3MBTL1HRH3
SCHEMBL31093123 0.81 PAOX (0.40) ALDH1A1MAPTL3MBTL1LMNATSHR
SCHEMBL31093037 0.80 ALDH1A1 (0.42) ALDH1A1MAPTPOLBL3MBTL1HRH3
SCHEMBL31092965 0.79 L3MBTL1 (0.48) ALDH1A1MAPTPOLBL3MBTL1HRH3

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