SCHEMBL7181230

SCHEMBL7181230

CCCc1c(Br)ccc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
P2RX7 Q99572 1/20 0.38
ALOX5 P09917 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TUBB1 Q9H4B7 2/20 0.37
AOC3 Q16853 1/20 0.37
HTR2A P28223 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA1 P00915 2/20 0.35
CA6 P23280 2/20 0.35
NQO2 P16083 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL17253669 0.81 ALDH1A1 (0.37) ALDH1A1HTR2AMAPTHPGDL3MBTL1
SCHEMBL27819924 0.81 TUBB1 (0.39) SLC2A1ALDH1A1TUBB1LMNAMAPT
SCHEMBL10834995 0.80 CASP1 (0.37) SLC2A1ALDH1A1TUBB1AOC3HTR2A
SCHEMBL23162643 0.79 LARS1 (0.38) TUBB1AOC3HTR2ALMNAMAPT
SCHEMBL22953956 0.79 CA2 (0.52) ALDH1A1TUBB1LMNAMAPTHPGD
SCHEMBL29623372 0.79 LARS1 (0.38) TUBB1AOC3HTR2ALMNAMAPT
Hydrochloric Acid SCHEMBL29623275 0.78 LARS1 (0.39) SLC2A1TUBB1AOC3HTR2ALMNA
Hydrochloric Acid SCHEMBL23162860 0.78 LARS1 (0.39) SLC2A1TUBB1AOC3HTR2ALMNA
SCHEMBL7279487 0.75 AOC3 (0.45) SLC2A1P2RX7ALOX5ALDH1A1AOC3
SCHEMBL5304577 0.74 HTR2A (0.49) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980350-A4 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES UNIV NEW MEXICO (US) 2003-01-02 EP disclosed
US-6124498-A Hydroxynaphthoic acids and derivatives UNIVERSITY OF NEW MEXICO (US) 2000-09-26 US disclosed
EP-0980350-A2 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES The University of New Mexico (US) 2000-02-23 EP disclosed
EP-0550111-B1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them SANOFI SA (FR) 1999-04-14 EP disclosed
WO-1998049130-A2 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES THE UNIVERSITY OF NEW MEXICO (US) 1998-11-05 WO disclosed
EP-0549073-B1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI SA (FR) 1997-03-26 EP disclosed
US-5563163-A TREATMENT OF DEGENERATIVE DISEASES STERLING WINTHROP, INC. (US) 1996-10-08 US disclosed
US-5512589-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP INC. (US) 1996-04-30 US disclosed
US-5306818-A Treating degenerative diseases such as emphysema, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-04-26 US disclosed
US-5296496-A Treating degenerative diseases STERLING WINTHROP INC. (US) 1994-03-22 US disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 US disclosed