SCHEMBL9429975

SCHEMBL9429975

CCCc1cc(C(=O)OCC)n(Cc2ccc(-c3ccccc3C(=O)OC)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPT P10636 1/20 0.55
AGTR1 P30556 2/20 0.49
AGTR2 P50052 2/20 0.49
ACHE P22303 1/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 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
SCHEMBL9428154 0.85 AGTR1 (0.51) AGTR1AGTR2ACHESLC6A4SLC6A3
SCHEMBL9427527 0.84 AGTR1 (0.49) SMN1; SMN2POLBTDP1MAPTAGTR1
SCHEMBL9427557 0.83 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A4SLC6A3
SCHEMBL9428062 0.83 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A4SLC6A3
SCHEMBL9427961 0.81 AGTR1 (0.51) AGTR1AGTR2ACHESLC6A4SLC6A3
SCHEMBL9428006 0.79 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A4SLC6A3
SCHEMBL653730 0.79 SMN1; SMN2 (0.54) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL654682 0.78 AGTR1 (0.51) SMN1; SMN2POLBTDP1MAPTAGTR1
SCHEMBL9427632 0.78 AGTR1 (0.54) AGTR1AGTR2ACHELTB4R2
SCHEMBL9427496 0.77 AGTR1 (0.49) AGTR1AGTR2ACHESLC6A4SLC6A3

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
US-5315013-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-24 US disclosed
EP-0323841-B1 SUBSTITUTED PYRROLE, PYRAZOLE AND TRIAZOLE ANGIOTENSIN II ANTAGONISTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
US-5189048-A Hypotensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed