SCHEMBL4573235

SCHEMBL4573235

O=C(O)C1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.61
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
AGTR2 P50052 1/20 0.50
CHEK1 O14757 1/20 0.49
JAK2 O60674 1/20 0.49

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
SCHEMBL8908771 1.00 ACE (0.61) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL3840630 1.00 ACE (0.61) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL11350319 0.88 ACE (0.59) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL28561301 0.86 ACE (0.48) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL4113622 0.86 ACE (0.66) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL8620971 0.85 NR1D1 (0.47) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL4627296 0.85 ACE (0.60) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL5720519 0.85 ACE (0.60) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL8495772 0.85 LMNA (0.61) ACEPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL14397408 0.83 ACE (0.59) ACEPOLBTDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019562-A1 HETEROBICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 바오밥에이바이오 2024-01-25 WO disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2007011290-A1 Bronchorelaxing agents based on indol- and isoquinoline derivatives RESPIRATORIUS AB (SE) 2007-01-25 WO disclosed
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 EP disclosed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP disclosed