SCHEMBL6131324

SCHEMBL6131324

Cc1cc(=O)oc2cc(OP(=O)([O-])OCC[N+](C)(C)C)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 9/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MAOB P27338 5/20 0.50
MAOA P21397 4/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
AR P10275 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 5/20 0.47
GLA P06280 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
ALDH2 P05091 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47

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
Phosphoric Acid SCHEMBL8218851 0.86 MAOB (0.63) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL4610784 0.83 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL1524399 0.80 MAOB (0.47) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL380623 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10MAOB
Choline SCHEMBL10006627 0.79 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10MAOB
Silver SCHEMBL7614148 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10MAOB
Lithium Ion SCHEMBL1871467 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL20703812 0.76 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL20710799 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10MAOB
SCHEMBL15924831 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252667-A1 METHODS AND COMPOSITIONS FOR INCREASING THE ACTIVITY IN THE CNS OF HEXOSAMINIDASE A, ACID SPHINGOMYELINASE, AND PALMITOYL-PROTEIN THIOESTERASE 1 ARMAGEN, INC. 2024-08-01 US disclosed
US-20050026235-A1 Fluorescent phospholipase assays and compositions APPLIED BIOSYSTEMS, INC. 2005-02-03 US disclosed
WO-2005005977-A2 FLUORESCENT PHOSPHOLIPASE ASSAYS AND COMPOSITIONS APPLERA CORPORATION (US) 2005-01-20 WO disclosed