SCHEMBL7047665

SCHEMBL7047665

CC(C)(C)OC(=O)Nc1cc(NC(=O)OCc2ccccc2)ccc1C(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SYK P43405 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TOP2A P11388 1/20 0.44
TOP2B Q02880 1/20 0.44
POLB P06746 1/20 0.44
ENPP2 Q13822 2/20 0.43
ROCK2 O75116 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL7043026 0.82 POLB (0.62) MGLLNPC1RAB9ASYKMAPT
SCHEMBL7396740 0.81 MGLL (0.52) MGLLNPC1RAB9ASYKMAPT
SCHEMBL7595080 0.81 MGLL (0.49) MGLLNPC1RAB9ASYKMAPT
SCHEMBL13193091 0.81 MGLL (0.51) MGLLNPC1RAB9ASYKMAPT
SCHEMBL7402970 0.80 NPC1 (0.47) MGLLNPC1RAB9ASYKMAPT
SCHEMBL7400180 0.80 MGLL (0.50) MGLLNPC1RAB9ASYKMAPT
SCHEMBL7044028 0.79 MGLL (0.54) MGLLNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL17653872 0.79 MGLL (0.52) MGLLNPC1RAB9ASYKMAPT
SCHEMBL8889937 0.78 NPC1 (0.45) NPC1RAB9ASYKMAPTSMN1; SMN2
SCHEMBL17665471 0.77 MGLL (0.47) MGLLNPC1RAB9ASYKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850224-B1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2003-04-09 EP disclosed
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
US-5985909-A Cyclopropylindoles and their seco precursors, and their use as prodrugs CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-16 US disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed
WO-1997007097-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1997-02-27 WO disclosed