SCHEMBL2836233

SCHEMBL2836233

O=C(O)OCC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 4/20 0.48
BCAT2 O15382 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.45
AOC3 Q16853 3/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL2836235 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL5566856 0.84 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Styramate SCHEMBL487238 0.84 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Styramate SCHEMBL22716369 0.84 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL4954685 0.84 CHRM1 (0.53) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28397665 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Styramate SCHEMBL13879238 0.84 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL10362252 0.84 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL11244967 0.83 CA12 (0.57) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL11337335 0.82 ALDH1A1 (0.70) SMN1; SMN2LMNABCAT2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082729-A PROCESS FOR THE PREPARATION OF OXYMETHYLENE POLYMERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US claimed
EP-2248799-B1 PROCESS FOR PREPARING 2-(SUBSTITUTED PHENYL)-2-HYDROXY-ETHYL CARBAMATES SK BIOPHARMACEUTICALS CO LTD (KR) 2015-05-20 EP disclosed
EP-2248799-A1 Process for preparing 2-(substituted phenyl)-2-hydroxy-ethyl carbamates Ortho-McNeil Pharmaceutical, Inc. (US) 2010-11-10 EP disclosed
EP-1461309-A1 PROCESS FOR PREPARING 2-(SUBSTITUTED PHENYL) - 2 - HYDROXY-ETHYL CARBAMATES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-09-29 EP disclosed
WO-2003053916-A1 PROCESS FOR PREPARING 2-(SUBSTITUTED PHENYL) - 2 - HYDROXY-ETHYL CARBAMATES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO disclosed
US-4082729-A PROCESS FOR THE PREPARATION OF OXYMETHYLENE POLYMERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed