SCHEMBL11023732

SCHEMBL11023732

C[N+](C)(C)CC(O)C(=O)c1cccc(O)c1.C[N+](C)(C)CC(O)C(=O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 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
SCHEMBL11020500 0.90 CA12 (0.46) POLBCA12CA1CA2CA6
SCHEMBL10339057 0.86 HPGD (0.44) NPC1CA12CA1CA2CA6
SCHEMBL11022263 0.85 LIG1 (0.49) NPC1RAB9APOLBCA12CA1
Iodide SCHEMBL9636643 0.77 TERT (0.41) POLBCA12CA1CA2CA9
SCHEMBL2221653 0.76 MDM2 (0.48) NPC1RAB9ACA12CA1CA2
SCHEMBL9635153 0.75 CA5A (0.42) CA12CA1CA2CA9LMNA
Water SCHEMBL16320768 0.75 MDM2 (0.47) NPC1RAB9ACA12CA1CA2
Hydrochloric Acid SCHEMBL2356480 0.75 MDM2 (0.47) NPC1RAB9ACA12CA1CA2
Iodide SCHEMBL2353850 0.75 MDM2 (0.47) NPC1RAB9ACA12CA1CA2
Bromide SCHEMBL2356766 0.75 MDM2 (0.47) NPC1RAB9ACA12CA1CA2

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