SCHEMBL9325002

SCHEMBL9325002

CC1C2C=CC(C2)N1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.30

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
SCHEMBL17598141 0.69 CHRM2 (0.45) SMN1; SMN2
SCHEMBL11065703 0.68 SMN1; SMN2 (0.34) SMN1; SMN2L3MBTL1
SCHEMBL15443252 0.63
SCHEMBL22693278 0.63 FUCA1 (0.38)
SCHEMBL15443037 0.63
SCHEMBL11537621 0.63 SLC6A9 (0.34)
SCHEMBL11537617 0.63 SLC6A9 (0.34)
SCHEMBL11537623 0.63 SLC6A9 (0.34)
SCHEMBL9326096 0.61 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1
SCHEMBL17756759 0.60 RECQL (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284970-A Phosphonation with phosphorus trihalides or phosphonic acid diesters AMERICAN CYANAMID COMPANY (US) 1994-02-08 US disclosed
US-5149825-A Chemical intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1992-09-22 US disclosed
US-4946993-A 2-azabicyclo[2.2.1.]hept-5-ene-2-acetic acid, derivatives thereof and related compounds, process for the preparation of said compounds, and the use of said compounds for the manufacture of N-phosphonomethylglycine AMERICAN CYANAMID COMPANY (US) 1990-08-07 US disclosed
EP-0374410-A2 2-Azabicyclo[2.2.1]hept-5-ene-2-acetic acid, derivatives thereof and related compounds, process for the preparation of said compounds and the use of said compounds for the manufacture of N-phosphonomethylglycine AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed