SCHEMBL9645345

SCHEMBL9645345

[CH2]CNC(=O)Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CAMK2A Q9UQM7 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
ESRRB O95718 1/20 0.51
ESRRG P62508 1/20 0.51
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
F13A1 P00488 1/20 0.43
CTBP2 P56545 1/20 0.43
HTT P42858 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
SCHEMBL23723912 0.84 ALDH1A1 (0.43) LMNANPC1RAB9AERCC1ERCC4
SCHEMBL8313887 0.83 CA2 (0.56) CA2CAMK2ATRPV1ESRRBESRRG
SCHEMBL425873 0.82 HDAC8 (0.61) TRPV1LMNARAB9AERCC1ERCC4
SCHEMBL2451676 0.80 ESRRB (0.55) CA2CAMK2ATRPV1ESRRBESRRG
SCHEMBL18086637 0.78 TRPV1 (0.77) TRPV1ESRRBESRRGCDK5CDK5R1
SCHEMBL21357567 0.78 TRPV1 (0.58) CA2CAMK2ATRPV1ESRRBESRRG
SCHEMBL935646 0.78 CA2 (0.61) CA2CAMK2ATRPV1ESRRBESRRG
SCHEMBL4161209 0.78 ESRRB (0.77) CA2TRPV1ESRRBESRRGNPC1
SCHEMBL10963044 0.78 HTT (0.69) CA2LMNANPC1RAB9AERCC1
SCHEMBL9327260 0.77 ESRRB (0.60) CA2CAMK2ATRPV1ESRRBESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP claimed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO claimed
EP-0512020-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF Nobel Chemicals AB (SE) 1992-11-11 EP disclosed
WO-1991010642-A1 PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS NOBEL CHEMICALS AB (SE) 1991-07-25 WO disclosed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP disclosed
US-4849530-A Process for the preparation of crystalline salts or aryloxy-propanolamines RORER PHARMACEUTICAL CORPORATION (US) 1989-07-18 US disclosed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 US disclosed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP disclosed