SCHEMBL17769239

SCHEMBL17769239

O=C1O[C@@H](CCl)CN1c1ccc(O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.53
F10 P00742 4/20 0.47
MAOB P27338 8/20 0.47
MAOA P21397 3/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 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
SCHEMBL17769240 1.00 CALML3 (0.53) CALML3F10MAOBMAOALMNA
Ethyl Acetate SCHEMBL17769270 0.88 MAOB (0.47) CALML3F10MAOBMAOALMNA
Ethyl Acetate SCHEMBL17769269 0.88 MAOB (0.47) CALML3F10MAOBMAOALMNA
SCHEMBL542030 0.88 CALML3 (0.67) CALML3MAOBMAOALMNAPTGS1
SCHEMBL10062439 0.88 CALML3 (0.67) CALML3MAOBMAOALMNAPTGS1
SCHEMBL542031 0.88 CALML3 (0.67) CALML3MAOBMAOALMNAPTGS1
SCHEMBL17443340 0.84 CALML3 (0.50) CALML3F10MAOBMAOALMNA
SCHEMBL17443338 0.84 CALML3 (0.50) CALML3F10MAOBMAOALMNA
SCHEMBL12956274 0.84 F10 (0.56) CALML3F10MAOBMAOALMNA
SCHEMBL10026237 0.84 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1

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
WO-2016079757-A2 NOVEL PROCESSES FOR PREPARING 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES SYMED LABS LIMITED (IN) 2016-05-26 WO claimed
WO-2016079757-A2 NOVEL PROCESSES FOR PREPARING 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES SYMED LABS LIMITED (IN) 2016-05-26 WO disclosed
WO-2016079757-A2 NOVEL PROCESSES FOR PREPARING 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES SYMED LABS LIMITED (IN) 2016-05-26 WO disclosed