SCHEMBL8539094

SCHEMBL8539094

COc1cccc(C(=O)CCC(=O)NO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.68
CTNNB1 P35222 2/20 0.58
WNT3A P56704 2/20 0.58
HDAC1 Q13547 3/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
HDAC8 Q9BY41 2/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PARP1 P09874 1/20 0.53
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL30416977 0.84 CTNNB1 (0.60) CTNNB1WNT3AHDAC1HDAC6CES2
SCHEMBL3588375 0.84 CTNNB1 (0.60) CTNNB1WNT3AHDAC1HDAC6CES2
SCHEMBL8269548 0.84 HSD11B1 (0.64) CTNNB1WNT3ACES2CES1NPC1
SCHEMBL30416831 0.83 ALDH1A1 (0.69) CTNNB1WNT3ACES2CES1NPC1
SCHEMBL31557732 0.83 CES2 (0.61) CTNNB1WNT3AHDAC1HDAC6CES2
SCHEMBL4722288 0.83 ALDH1A1 (0.69) CTNNB1WNT3ACES2CES1NPC1
SCHEMBL11248287 0.82 CES2 (0.69) HDAC1HDAC6CES2CES1HDAC8
SCHEMBL30758862 0.82 CES2 (0.69) HDAC1HDAC6CES2CES1HDAC8
SCHEMBL8098826 0.81 PARP1 (0.65) CTNNB1WNT3AHDAC1HDAC6CES2
SCHEMBL4637827 0.81 CES2 (0.62) CTNNB1WNT3AHDAC1HDAC6CES2

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
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP disclosed
US-5591856-A CHEMICAL INTERMEDIATES, TREATMENT OF ALZHEIMER'S DISEASE HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-07 US disclosed
US-5554750-A TO RELIEVE MEMORY DYSFUNCTIONS; TREATMENT OF ALZHEMER*S HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-10 US disclosed
EP-0671388-A1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-09-13 EP disclosed
US-5405845-A Administering to relieve memory dysfunction; treatment of Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-04-11 US disclosed
US-5338739-A Memory dysfunction relieving compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-16 US disclosed