SCHEMBL22292736

SCHEMBL22292736

C=C(C)C(=C)OCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL2600001 0.92 TSHR (0.44) GAATSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL10065557 0.86 CHRM1 (0.46) GAAALDH1A1SMN1; SMN2CHRM2CHRM4
SCHEMBL8071555 0.82 GAA (0.41) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13762594 0.81 TSHR (0.46) TSHRALDH1A1CA12CA1CA2
SCHEMBL112006 0.79 TSHR (0.58) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL18280667 0.79 CA12 (0.39) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Fluoride SCHEMBL1254048 0.78 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Bromide SCHEMBL1254033 0.78 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL1254834 0.78 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Iodide SCHEMBL1252765 0.78 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2

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
EP-3690019-A1 CELL CULTURE CONTAINER HAVING MINUTE VOLUME Nissan Chemical Corporation (JP) 2020-08-05 EP disclosed