Propiolactone

Propiolactone

SCHEMBL4601111

COc1cccc2sc3ccccc3c(=O)c12.O=C1CCO1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAOA P21397 4/20 0.49
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
RAD52 P43351 1/20 0.48
ALDH1A1 P00352 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK3 P27361 1/20 0.41

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
SCHEMBL30925001 0.89 NPC1 (0.70) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL2789108 0.89 NPC1 (0.70) NPC1RAB9AMAPTCYP1A2CYP3A4
Propiolactone SCHEMBL5190919 0.82 MAPT (0.48) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL8091142 0.77 MAPT (0.56) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL25613275 0.76 NPC1 (0.55) NPC1RAB9AMAPTCYP1A2CYP3A4
Propiolactone SCHEMBL6691395 0.76 NPC1 (0.79) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL31157858 0.73 NPC1 (1.00) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL22161850 0.73 NPC1 (0.74) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL27636034 0.73 MAPT (0.54) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL4306920 0.73 NPC1 (1.00) NPC1RAB9AMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902019-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-03-26 EP disclosed
EP-1789188-A2 PROCESS FOR THE PHOTOACTIVATION AND USE OF A CATALYST BY AN INVERTED TWO-STAGE PROCEDURE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-05-30 EP disclosed
WO-2007003507-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 WO disclosed
WO-2006008251-A2 PROCESS FOR THE PHOTOACTIVATION AND USE OF A CATALYST BY AN INVERTED TWO-STAGE PROCEDURE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed