SCHEMBL7472356

SCHEMBL7472356

CCOC(=O)c1c(/C(C)=C(/C(=O)O)c2cccs2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
NOD2 Q9HC29 3/20 0.46
NOD1 Q9Y239 3/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CTSB P07858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7460645 1.00 AGTR1 (0.46) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL7460640 1.00 AGTR1 (0.46) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL9086746 0.89 NOD2 (0.42) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL9086755 0.89 NOD2 (0.42) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL27386819 0.84 NOD2 (0.42) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL7472275 0.83 AGTR1 (0.52) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL7472272 0.83 AGTR1 (0.52) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL7467719 0.81 NOD2 (0.57) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL11901256 0.74 NOD2 (0.56) AGTR1NOD2NOD1PSEN1PSEN2
SCHEMBL7462792 0.71 NOD2 (0.42) NOD2NOD1PSEN1PSEN2APH1B

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-0790994-B1 HETEROCYCLE SUBSTITUTED PROPENOIC ACID DERIVATIVES AS NMDA ANTAGONISTS AVENTIS PHARMA INC (US) 2002-05-08 EP disclosed
US-6180786-B1 ANTAGONIST FOR EXCITORY AMINO ACIDS HOECHST MARION ROUSSEL, INC. 2001-01-30 US disclosed
US-5981553-A BLOCKING EXCITATORY AMINO ACID ACTION IN PREVENTING HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, SENILE DEMENTIA, GLUTARIC ACIDAEMIA TYPE I, MULTI-INFARCT DEMENTIA, AMYOTROPHIC LATERAL SCLEROSIS OR NEURONAL DAMAGE FROM SEIZURES HOECHST MARION ROUSSEL, INC. (US) 1999-11-09 US disclosed
EP-0790994-A1 HETEROCYCLE SUBSTITUTED PROPENOIC ACID DERIVATIVES AS NMDA ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1997-08-27 EP disclosed
US-5563157-A EXCITATORY AMINO ACID ANTAGONISTS HOECHST MARION ROUSSEL INC. (US) 1996-10-08 US disclosed
WO-1996013501-A1 HETEROCYCLE SUBSTITUTED PROPENOIC ACID DERIVATIVES AS NMDA ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1996-05-09 WO disclosed