SCHEMBL7645820

SCHEMBL7645820

CC(C)(C)OC(=O)C1COCCN(C(=O)OC(C)(C)C)CCOCCOCCNCCO1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.34
CTSK P43235 1/20 0.34
USP30 Q70CQ3 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
RAB9A P51151 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
SCHEMBL7645826 0.98 USP2 (0.58) USP2SMN1; SMN2RECQLKDM4EMAPT
SCHEMBL7472743 0.85 SMN1; SMN2 (0.81) USP2SMN1; SMN2RECQLTSHRGPR119
SCHEMBL29988783 0.76 USP2 (0.41) USP2SMN1; SMN2RECQL
SCHEMBL20448044 0.76 SMN1; SMN2 (1.00) USP2SMN1; SMN2RECQLTSHRGPR119
Hydrochloric Acid SCHEMBL29356070 0.75 USP2 (0.40) USP2SMN1; SMN2RECQL
SCHEMBL344191 0.75 SMN1; SMN2 (0.96) USP2SMN1; SMN2RECQLTSHRGPR119
SCHEMBL9066841 0.73 RECQL (0.49) USP2SMN1; SMN2RECQLKDM4EMAPT
SCHEMBL1560847 0.72 USP2 (0.72) USP2SMN1; SMN2RECQLKDM4EMAPT
SCHEMBL25262250 0.71 SSTR4 (0.48)
Acetic Acid SCHEMBL29118271 0.70 SMN1; SMN2 (0.86) USP2SMN1; SMN2RECQLTSHRGPR119

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
EP-1216242-A1 MACROCYCLIC QUINAZOLINONES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP disclosed
US-6355637-B1 QUINAZOLONES FOR LOCAL ANESTHETICS ADVANCED MEDICINE, INC. 2002-03-12 US disclosed
WO-2001025235-A1 MACROCYCLIC QUINAZOLINONES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 WO disclosed