SCHEMBL7018083

SCHEMBL7018083

CC(C)(CBr)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
RIPK1 Q13546 1/20 0.37
SLC6A2 P23975 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LTA4H P09960 3/20 0.36
TSHR P16473 2/20 0.36
PPARG P37231 4/20 0.36
KCNA3 P22001 1/20 0.36
MAPK1 P28482 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28141859 0.81 CA4 (0.42) CA4RIPK1SLC6A2TAAR1LTA4H
SCHEMBL3723070 0.80 ALDH1A1 (0.42) SLC6A2MAPK1PPARAALDH1A1LMNA
SCHEMBL17832183 0.80 CA4 (0.37) CA4RIPK1SLC6A2TAAR1LTA4H
SCHEMBL183720 0.79 LTA4H (0.40) CA4RIPK1SLC6A2TAAR1LTA4H
SCHEMBL987506 0.78 PPARA (0.48) SLC6A2TSHRPPARGMAPK1PPARA
SCHEMBL3724795 0.78 MAOB (0.44) SLC6A2MAPK1ALDH1A1LMNA
SCHEMBL1757874 0.77 ALDH1A1 (0.41) CA4RIPK1SLC6A2TAAR1LTA4H
SCHEMBL27710307 0.77 RIPK1 (0.41) CA4RIPK1SLC6A2TAAR1LTA4H
SCHEMBL899654 0.77 RIPK1 (0.41) CA4RIPK1SLC6A2TAAR1LTA4H
SCHEMBL3937220 0.77 PPARG (0.39) CA4RIPK1SLC6A2TAAR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed