SCHEMBL11022263

SCHEMBL11022263

C[N+](C)(C)CC(O)C(=O)c1ccc(O)cc1.C[N+](C)(C)CC(O)C(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.49
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM1A O60341 1/20 0.42
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX12 P18054 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10339057 0.89 HPGD (0.44) LIG1LMNAHSD17B10ALDH1A1KMT2A
SCHEMBL5144207 0.88 LMNA (0.44) LMNAHSD17B10ALDH1A1KMT2AMAPT
Iodide SCHEMBL11214733 0.86 LMNA (0.42) LMNAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL11023732 0.85 NPC1 (0.40) LIG1LMNAALDH1A1KMT2AMAPT
SCHEMBL2221653 0.80 MDM2 (0.48) LMNAALDH1A1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL2356480 0.78 MDM2 (0.47) LMNAALDH1A1KMT2AMAPTKDM4E
Water SCHEMBL16320768 0.78 MDM2 (0.47) LMNAALDH1A1KMT2AMAPTKDM4E
Iodide SCHEMBL2353850 0.78 MDM2 (0.47) LMNAALDH1A1KMT2AMAPTKDM4E
Bromide SCHEMBL2356766 0.78 MDM2 (0.47) LMNAALDH1A1KMT2AMAPTKDM4E
Iodide SCHEMBL9636643 0.78 TERT (0.41) LMNAHSD17B10ALDH1A1KMT2AMAPT

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-0060059-B1 METHOD FOR DETERMINING THE ACTIVITY OF CHOLINESTERASE AND DIAGNOSTIC SOLUTION FOR USE THEREIN FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-08-21 EP claimed